# systems

unique_id: 4c5deeee466ccff9047728faf94dfb92
username: dulak
calculator: nwchem
data: null
calculator_parameters:
  {"tolerances": "tight", "basis": "def2-qzvppd", "geometry": "noautosym nocenter noautoz", "xc": "PBE", "direct": "noio", "raw": "set int:txs:limxmem 134217728\nmemory total 8000 Mb noverify\n", "basispar": "spherical", "grid": "nodisk", "maxiter": 150, "convergence": {"gradient": null, "energy": null, "damp": null, "lshift": 0.0, "density": null}}

key_value_pairs:
  {"name": "H", "basis": "def2-qzvppd", "relativistic": 0.0, "relaxed": false, "calculator_version": "6.1.1", "xc": "PBE", "project": "tmfp06d", "time": 3.1713972091674805}


unique_id: d7a30b0d3c0befd447be5a14b0998864
username: dulak
calculator: nwchem
data: null
calculator_parameters:
  {"tolerances": "tight", "basis": "def2-qzvppd", "geometry": "noautosym nocenter noautoz", "xc": "PBE", "direct": "noio", "raw": "set int:txs:limxmem 134217728\nmemory total 8000 Mb noverify\n", "basispar": "spherical", "grid": "nodisk", "maxiter": 150, "convergence": {"gradient": null, "energy": null, "damp": null, "lshift": 0.0, "density": null}}

key_value_pairs:
  {"name": "N", "basis": "def2-qzvppd", "relativistic": 0.0, "relaxed": false, "calculator_version": "6.1.1", "xc": "PBE", "project": "tmfp06d", "time": 4.505659818649292}


unique_id: 7b39c20e6196e7b51e375e916c517735
username: dulak
calculator: nwchem
data: null
calculator_parameters:
  {"tolerances": "tight", "basis": "def2-qzvppd", "geometry": "noautosym nocenter noautoz", "xc": "PBE", "direct": "noio", "raw": "set int:txs:limxmem 134217728\nmemory total 8000 Mb noverify\n", "basispar": "spherical", "grid": "nodisk", "maxiter": 150, "convergence": {"gradient": null, "energy": null, "damp": null, "lshift": 0.0, "density": null}}

key_value_pairs:
  {"name": "O", "basis": "def2-qzvppd", "relativistic": 0.0, "relaxed": false, "calculator_version": "6.1.1", "xc": "PBE", "project": "tmfp06d", "time": 5.8583030700683594}


unique_id: 84e52fb1eb3bf3b9c143034b7399d652
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 349 characters]

key_value_pairs:
  {"name": "F", "basis": "def2-qzvppd", "relativistic": 0.0, "relaxed": false, "calculator_version": "6.1.1", "xc": "PBE", "project": "tmfp06d", "time": 5.9484400749206543}


unique_id: d4eff6acc47bd14aebfbcd66b943b929
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 349 characters]

key_value_pairs:
  {"name": "Ca", "basis": "def2-qzvppd", "relativistic": 0.0, "relaxed": false, "calculator_version": "6.1.1", "xc": "PBE", "project": "tmfp06d", "time": 7.8014991283416748}


unique_id: 6ec464d60dea2156dd35d648a43932d8
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 349 characters]

key_value_pairs:
  {"name": "CaH", "basis": "def2-qzvppd", "relativistic": 0.0, "relaxed": false, "calculator_version": "6.1.1", "xc": "PBE", "project": "tmfp06d", "frequency": 1228.1076465018082, "time": 399.64023804664612}


unique_id: aadbd0cfa80cf999fa752b739237b3d6
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 349 characters]

key_value_pairs:
  {"name": "Ca2", "basis": "def2-qzvppd", "relativistic": 0.0, "relaxed": false, "calculator_version": "6.1.1", "xc": "PBE", "project": "tmfp06d", "frequency": 69.389118219883983, "time": 665.65314602851868}


unique_id: da5d59b3ca76d504722473caa23e80c6
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 349 characters]

key_value_pairs:
  {"name": "CaH", "basis": "def2-qzvppd", "relativistic": 0.0, "relaxed": true, "calculator_version": "6.1.1", "xc": "PBE", "project": "tmfp06d", "frequency": 1300.6586158733344, "time": 461.9960310459137}


unique_id: ca3de8399616b78fcebabacbc3d32ec4
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 349 characters]

key_value_pairs:
  {"name": "CaF", "basis": "def2-qzvppd", "relativistic": 0.0, "relaxed": false, "calculator_version": "6.1.1", "xc": "PBE", "project": "tmfp06d", "frequency": 546.1691743157794, "time": 913.94547510147095}


unique_id: 3c46983759acb6bbfb64fed3f93da610
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 349 characters]

key_value_pairs:
  {"name": "Ca2", "basis": "def2-qzvppd", "relativistic": 0.0, "relaxed": true, "calculator_version": "6.1.1", "xc": "PBE", "project": "tmfp06d", "frequency": 91.31681928480738, "time": 825.14274001121521}


unique_id: f0440a61acd81858d053f08d333bd501
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 349 characters]

key_value_pairs:
  {"name": "Co", "basis": "def2-qzvppd", "relativistic": 0.0, "relaxed": false, "calculator_version": "6.1.1", "xc": "PBE", "project": "tmfp06d", "time": 325.92649412155151}


unique_id: f4cc26f1570264d809bcaaa78513f09c
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 349 characters]

key_value_pairs:
  {"name": "CaF", "basis": "def2-qzvppd", "relativistic": 0.0, "relaxed": true, "calculator_version": "6.1.1", "xc": "PBE", "project": "tmfp06d", "frequency": 588.24958062628014, "time": 1054.6315739154816}


unique_id: 5ea43dfce14b05652ea3e4ec0b40066c
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 349 characters]

key_value_pairs:
  {"name": "CaO", "basis": "def2-qzvppd", "relativistic": 0.0, "relaxed": false, "calculator_version": "6.1.1", "xc": "PBE", "project": "tmfp06d", "frequency": 741.82278575106739, "time": 1149.363954782486}


unique_id: f8de1597a0bb4ac71c6598f89221c88a
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 349 characters]

key_value_pairs:
  {"name": "CaO", "basis": "def2-qzvppd", "relativistic": 0.0, "relaxed": true, "calculator_version": "6.1.1", "xc": "PBE", "project": "tmfp06d", "frequency": 764.23350025651325, "time": 1318.3291139602661}


unique_id: 1e994c64e315ff59c729983a916dd6de
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 349 characters]

key_value_pairs:
  {"name": "CoH", "basis": "def2-qzvppd", "relativistic": 0.0, "relaxed": false, "calculator_version": "6.1.1", "xc": "PBE", "project": "tmfp06d", "frequency": 1806.3085565005999, "time": 1519.9863049983978}


unique_id: de9b50de9cb0407b92d02d92c2eaa9a7
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 349 characters]

key_value_pairs:
  {"name": "CoH", "basis": "def2-qzvppd", "relativistic": 0.0, "relaxed": true, "calculator_version": "6.1.1", "xc": "PBE", "project": "tmfp06d", "frequency": 1831.7036754667802, "time": 1727.17946600914}


unique_id: 8b6b1a8ed89bf3fdccd89d304c90e7a9
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 349 characters]

key_value_pairs:
  {"name": "Cr", "basis": "def2-qzvppd", "relativistic": 0.0, "relaxed": false, "calculator_version": "6.1.1", "xc": "PBE", "project": "tmfp06d", "time": 24.309282064437866}


unique_id: 96a99e9060f1c63dc29ba1845b5bd826
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 349 characters]

key_value_pairs:
  {"name": "Co2", "basis": "def2-qzvppd", "relativistic": 0.0, "relaxed": false, "calculator_version": "6.1.1", "xc": "PBE", "project": "tmfp06d", "frequency": 380.22478522721656, "time": 5388.0036809444427}


unique_id: 60a8dacd3590f16da7edbe051bfebcd3
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 349 characters]

key_value_pairs:
  {"name": "CoO", "basis": "def2-qzvppd", "relativistic": 0.0, "relaxed": false, "calculator_version": "6.1.1", "xc": "PBE", "project": "tmfp06d", "frequency": 808.75676855520749, "time": 3938.6413400173187}


unique_id: 15abde2e5d263f4bdb001f5f4aa4ab4f
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 349 characters]

key_value_pairs:
  {"name": "Cr2", "basis": "def2-qzvppd", "relativistic": 0.0, "relaxed": false, "calculator_version": "6.1.1", "xc": "PBE", "project": "tmfp06d", "frequency": 590.66343592810597, "time": 5083.2153849601746}


unique_id: 69dde6e7b12e64db8689bf9bda35cdb4
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 349 characters]

key_value_pairs:
  {"name": "CoO", "basis": "def2-qzvppd", "relativistic": 0.0, "relaxed": true, "calculator_version": "6.1.1", "xc": "PBE", "project": "tmfp06d", "frequency": 833.92343422815691, "time": 4484.3110439777374}


unique_id: 7e26dc424952a47bb0853dc31693a628
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 349 characters]

key_value_pairs:
  {"name": "Co2", "basis": "def2-qzvppd", "relativistic": 0.0, "relaxed": true, "calculator_version": "6.1.1", "xc": "PBE", "project": "tmfp06d", "frequency": 388.09968766703912, "time": 5755.8476121425629}


unique_id: 491d7bf9eea77e264aa64c50a94b57d2
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 349 characters]

key_value_pairs:
  {"name": "CrF", "basis": "def2-qzvppd", "relativistic": 0.0, "relaxed": false, "calculator_version": "6.1.1", "xc": "PBE", "project": "tmfp06d", "frequency": 649.36840027428934, "time": 1979.651927947998}


unique_id: 769bcd9c659d804007d24a179068d373
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 349 characters]

key_value_pairs:
  {"name": "CrH", "basis": "def2-qzvppd", "relativistic": 0.0, "relaxed": false, "calculator_version": "6.1.1", "xc": "PBE", "project": "tmfp06d", "frequency": 1651.0256039382739, "time": 988.76192116737366}


unique_id: d66b130f8c569e12be40d960cf55d8cd
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 349 characters]

key_value_pairs:
  {"name": "CrN", "basis": "def2-qzvppd", "relativistic": 0.0, "relaxed": false, "calculator_version": "6.1.1", "xc": "PBE", "project": "tmfp06d", "frequency": 949.75548019374912, "time": 1096.9764928817749}


unique_id: adc8d23e82493097e9143a22ba0e6c8c
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 349 characters]

key_value_pairs:
  {"name": "CrH", "basis": "def2-qzvppd", "relativistic": 0.0, "relaxed": true, "calculator_version": "6.1.1", "xc": "PBE", "project": "tmfp06d", "frequency": 1661.4853704114951, "time": 1061.3872790336609}


unique_id: d9b6e2be3358692a558415cff41faf53
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 349 characters]

key_value_pairs:
  {"name": "CrF", "basis": "def2-qzvppd", "relativistic": 0.0, "relaxed": true, "calculator_version": "6.1.1", "xc": "PBE", "project": "tmfp06d", "frequency": 638.56141903593448, "time": 2239.7379050254822}


unique_id: 3cc952b7d44ca7d01c3db5216e12b44f
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 349 characters]

key_value_pairs:
  {"name": "CrN", "basis": "def2-qzvppd", "relativistic": 0.0, "relaxed": true, "calculator_version": "6.1.1", "xc": "PBE", "project": "tmfp06d", "frequency": 1025.7708062319443, "time": 1258.1180119514465}


unique_id: decb88984ce2986e5a3dd4362b9d02ce
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 349 characters]

key_value_pairs:
  {"name": "Cu", "basis": "def2-qzvppd", "relativistic": 0.0, "relaxed": false, "calculator_version": "6.1.1", "xc": "PBE", "project": "tmfp06d", "time": 37.945293188095093}


unique_id: 8adc81885c52dd17d0197bced5e6e124
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 349 characters]

key_value_pairs:
  {"name": "Cr2", "basis": "def2-qzvppd", "relativistic": 0.0, "relaxed": true, "calculator_version": "6.1.1", "xc": "PBE", "project": "tmfp06d", "frequency": 813.44306027523351, "time": 6260.4497821331024}


unique_id: 580ef3b11c47c566b4fefde3212ae2dd
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 349 characters]

key_value_pairs:
  {"name": "Cu2", "basis": "def2-qzvppd", "relativistic": 0.0, "relaxed": false, "calculator_version": "6.1.1", "xc": "PBE", "project": "tmfp06d", "frequency": 273.40629526257879, "time": 1356.5486400127411}


unique_id: 6ee6643e1d7c44539e4d4c33dda7c66e
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 349 characters]

key_value_pairs:
  {"name": "CrO", "basis": "def2-qzvppd", "relativistic": 0.0, "relaxed": false, "calculator_version": "6.1.1", "xc": "PBE", "project": "tmfp06d", "frequency": 901.8881691809504, "time": 2553.752434015274}


unique_id: a369b02a1b41bfe57cf11df28a6b3ca0
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 349 characters]

key_value_pairs:
  {"name": "CuH", "basis": "def2-qzvppd", "relativistic": 0.0, "relaxed": false, "calculator_version": "6.1.1", "xc": "PBE", "project": "tmfp06d", "frequency": 1933.0833904823594, "time": 1308.5482068061829}


unique_id: 9a114f6c4da4272e8634ea160fdbaccd
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 349 characters]

key_value_pairs:
  {"name": "CuF", "basis": "def2-qzvppd", "relativistic": 0.0, "relaxed": false, "calculator_version": "6.1.1", "xc": "PBE", "project": "tmfp06d", "frequency": 626.77851515918178, "time": 2373.9514808654785}


unique_id: a3c909f43659c5f00a66bc3ca6e95394
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 349 characters]

key_value_pairs:
  {"name": "Cu2", "basis": "def2-qzvppd", "relativistic": 0.0, "relaxed": true, "calculator_version": "6.1.1", "xc": "PBE", "project": "tmfp06d", "frequency": 254.78376128430682, "time": 1532.166207075119}


unique_id: e9f902ed113c722c595dbd03277ccf03
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 349 characters]

key_value_pairs:
  {"name": "CuH", "basis": "def2-qzvppd", "relativistic": 0.0, "relaxed": true, "calculator_version": "6.1.1", "xc": "PBE", "project": "tmfp06d", "frequency": 1880.0462776865454, "time": 1494.3497841358185}


unique_id: e4f05960e4ac5ae5ba168ab266e2354c
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 349 characters]

key_value_pairs:
  {"name": "Fe", "basis": "def2-qzvppd", "relativistic": 0.0, "relaxed": false, "calculator_version": "6.1.1", "xc": "PBE", "project": "tmfp06d", "time": 200.54322004318237}


unique_id: f1dc8340f726b7c191732a735e8357a4
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 349 characters]

key_value_pairs:
  {"name": "CuO", "basis": "def2-qzvppd", "relativistic": 0.0, "relaxed": false, "calculator_version": "6.1.1", "xc": "PBE", "project": "tmfp06d", "frequency": 654.12437309756046, "time": 1196.3601310253143}


unique_id: 68f4c080971c37dc194d2d425d29e03e
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 349 characters]

key_value_pairs:
  {"name": "CrO", "basis": "def2-qzvppd", "relativistic": 0.0, "relaxed": true, "calculator_version": "6.1.1", "xc": "PBE", "project": "tmfp06d", "frequency": 918.96851030023947, "time": 2740.9898390769958}


unique_id: ae1f7b001d5a05e87763bbdf75ab4311
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 349 characters]

key_value_pairs:
  {"name": "CuF", "basis": "def2-qzvppd", "relativistic": 0.0, "relaxed": true, "calculator_version": "6.1.1", "xc": "PBE", "project": "tmfp06d", "frequency": 599.76937562592354, "time": 2695.945338010788}


unique_id: b1503ede0cad6a1165607c3429e27ff0
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 349 characters]

key_value_pairs:
  {"name": "CuO", "basis": "def2-qzvppd", "relativistic": 0.0, "relaxed": true, "calculator_version": "6.1.1", "xc": "PBE", "project": "tmfp06d", "frequency": 663.72121403731205, "time": 1283.417690038681}


unique_id: 58a1cc58d75cdea7c00a151f86244af0
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 349 characters]

key_value_pairs:
  {"name": "FeH", "basis": "def2-qzvppd", "relativistic": 0.0, "relaxed": false, "calculator_version": "6.1.1", "xc": "PBE", "project": "tmfp06d", "frequency": 1527.9463696231412, "time": 1502.3481600284576}


unique_id: b7818bf6c3f61c2b307469c0b59e7897
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 349 characters]

key_value_pairs:
  {"name": "FeF", "basis": "def2-qzvppd", "relativistic": 0.0, "relaxed": false, "calculator_version": "6.1.1", "xc": "PBE", "project": "tmfp06d", "frequency": 642.27553524959126, "time": 2407.3721418380737}


unique_id: 7dccde7b0a64587979f6cc6cd0d254df
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 349 characters]

key_value_pairs:
  {"name": "FeO", "basis": "def2-qzvppd", "relativistic": 0.0, "relaxed": false, "calculator_version": "6.1.1", "xc": "PBE", "project": "tmfp06d", "frequency": 889.23625491954351, "time": 1572.7663559913635}


unique_id: 7c29630c7c1658e62c85312e75425f9d
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 349 characters]

key_value_pairs:
  {"name": "FeO", "basis": "def2-qzvppd", "relativistic": 0.0, "relaxed": true, "calculator_version": "6.1.1", "xc": "PBE", "project": "tmfp06d", "frequency": 915.15884725740182, "time": 1473.5768690109253}


unique_id: b411fc1a9a462d9d281494dbe56c6e3d
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 349 characters]

key_value_pairs:
  {"name": "K", "basis": "def2-qzvppd", "relativistic": 0.0, "relaxed": false, "calculator_version": "6.1.1", "xc": "PBE", "project": "tmfp06d", "time": 5.9514381885528564}


unique_id: 2963669ae89c496bb45acc30f6459481
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 349 characters]

key_value_pairs:
  {"name": "FeH", "basis": "def2-qzvppd", "relativistic": 0.0, "relaxed": true, "calculator_version": "6.1.1", "xc": "PBE", "project": "tmfp06d", "frequency": 1825.1124364781808, "time": 1844.6241860389709}


unique_id: 32b6d6c6f2a34faef26d8de829f876e1
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 349 characters]

key_value_pairs:
  {"name": "K2", "basis": "def2-qzvppd", "relativistic": 0.0, "relaxed": false, "calculator_version": "6.1.1", "xc": "PBE", "project": "tmfp06d", "frequency": 94.934961578804518, "time": 251.61990284919739}


unique_id: f6bc03e1cb858d455f136a4830523d20
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 349 characters]

key_value_pairs:
  {"name": "K2", "basis": "def2-qzvppd", "relativistic": 0.0, "relaxed": true, "calculator_version": "6.1.1", "xc": "PBE", "project": "tmfp06d", "frequency": 88.500956807293733, "time": 282.23877620697021}


unique_id: 83a399d11dfed1b208b7a3c8f433ff88
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 349 characters]

key_value_pairs:
  {"name": "KH", "basis": "def2-qzvppd", "relativistic": 0.0, "relaxed": false, "calculator_version": "6.1.1", "xc": "PBE", "project": "tmfp06d", "frequency": 959.91864854418736, "time": 136.52165198326111}


unique_id: d1d961728363b21d6b669665fdd05869
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 349 characters]

key_value_pairs:
  {"name": "KF", "basis": "def2-qzvppd", "relativistic": 0.0, "relaxed": false, "calculator_version": "6.1.1", "xc": "PBE", "project": "tmfp06d", "frequency": 420.98599158486957, "time": 716.35807609558105}


unique_id: a0892ac17ac88f1c7eb1e60b1b4a8dab
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 349 characters]

key_value_pairs:
  {"name": "KH", "basis": "def2-qzvppd", "relativistic": 0.0, "relaxed": true, "calculator_version": "6.1.1", "xc": "PBE", "project": "tmfp06d", "frequency": 947.60909887090747, "time": 146.51385688781738}


unique_id: dea1c02f3cbbd558fdf777cf2287b19b
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 349 characters]

key_value_pairs:
  {"name": "FeF", "basis": "def2-qzvppd", "relativistic": 0.0, "relaxed": true, "calculator_version": "6.1.1", "xc": "PBE", "project": "tmfp06d", "frequency": 639.29268625565828, "time": 2701.7105689048767}


unique_id: 22ce0bdf96c1633aeb7f0abefb1a16e3
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 349 characters]

key_value_pairs:
  {"name": "Fe2", "basis": "def2-qzvppd", "relativistic": 0.0, "relaxed": false, "calculator_version": "6.1.1", "xc": "PBE", "project": "tmfp06d", "frequency": 384.45128802363371, "time": 5903.608197927475}


unique_id: 5978d3e89cd79d7c751d9a62a69a86b0
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 349 characters]

key_value_pairs:
  {"name": "KF", "basis": "def2-qzvppd", "relativistic": 0.0, "relaxed": true, "calculator_version": "6.1.1", "xc": "PBE", "project": "tmfp06d", "frequency": 408.39277380289451, "time": 813.13593888282776}


unique_id: 5b72f5dcff78bea9bee89654cefa9d2f
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 349 characters]

key_value_pairs:
  {"name": "MnH", "basis": "def2-qzvppd", "relativistic": 0.0, "relaxed": false, "calculator_version": "6.1.1", "xc": "PBE", "project": "tmfp06d", "frequency": 1454.0312194313858, "time": 750.75149202346802}


unique_id: b756d4ca9448380fa56d2ad78aa97161
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 349 characters]

key_value_pairs:
  {"name": "MnH", "basis": "def2-qzvppd", "relativistic": 0.0, "relaxed": true, "calculator_version": "6.1.1", "xc": "PBE", "project": "tmfp06d", "frequency": 1520.9888315248561, "time": 862.00646996498108}


unique_id: 381dd351a09e70eb0bd3cc566e1161f7
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 349 characters]

key_value_pairs:
  {"name": "Ni", "basis": "def2-qzvppd", "relativistic": 0.0, "relaxed": false, "calculator_version": "6.1.1", "xc": "PBE", "project": "tmfp06d", "time": 127.59309315681458}


unique_id: 45214b3b3f2211aeddda7965ecb85856
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 349 characters]

key_value_pairs:
  {"name": "MnO", "basis": "def2-qzvppd", "relativistic": 0.0, "relaxed": false, "calculator_version": "6.1.1", "xc": "PBE", "project": "tmfp06d", "frequency": 858.11297070820444, "time": 2027.7790620326996}


unique_id: bf2551b510b2bfb679bec34f415a84ab
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 349 characters]

key_value_pairs:
  {"name": "MnO", "basis": "def2-qzvppd", "relativistic": 0.0, "relaxed": true, "calculator_version": "6.1.1", "xc": "PBE", "project": "tmfp06d", "frequency": 902.62585402038621, "time": 2185.4731690883636}


unique_id: c595b2d6a091989a27f4845f7b68019b
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 349 characters]

key_value_pairs:
  {"name": "Fe2", "basis": "def2-qzvppd", "relativistic": 0.0, "relaxed": true, "calculator_version": "6.1.1", "xc": "PBE", "project": "tmfp06d", "frequency": 399.99572582989873, "time": 6762.5228731632233}


unique_id: 8fcc7fcda1c844bb56019d6fe147be62
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 349 characters]

key_value_pairs:
  {"name": "NiH", "basis": "def2-qzvppd", "relativistic": 0.0, "relaxed": false, "calculator_version": "6.1.1", "xc": "PBE", "project": "tmfp06d", "frequency": 1893.2135829604451, "time": 3710.1361260414124}


unique_id: a197d8696d11c76f77cd388606ff742d
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 349 characters]

key_value_pairs:
  {"name": "NiO", "basis": "def2-qzvppd", "relativistic": 0.0, "relaxed": false, "calculator_version": "6.1.1", "xc": "PBE", "project": "tmfp06d", "frequency": 851.96404812890046, "time": 3824.7354259490967}


unique_id: 91479df3db2716f6cfee2ed3fd4a1924
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 349 characters]

key_value_pairs:
  {"name": "Ni2", "basis": "def2-qzvppd", "relativistic": 0.0, "relaxed": false, "calculator_version": "6.1.1", "xc": "PBE", "project": "tmfp06d", "frequency": 294.46324606962429, "time": 9614.8436779975891}


unique_id: e411e18f9239238fa8fd92b81dcbabb3
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 349 characters]

key_value_pairs:
  {"name": "NiH", "basis": "def2-qzvppd", "relativistic": 0.0, "relaxed": true, "calculator_version": "6.1.1", "xc": "PBE", "project": "tmfp06d", "frequency": 1915.6134127581752, "time": 3664.6698110103607}


unique_id: 8b40638b73e377c555c44c3c1adc4489
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 349 characters]

key_value_pairs:
  {"name": "NiO", "basis": "def2-qzvppd", "relativistic": 0.0, "relaxed": true, "calculator_version": "6.1.1", "xc": "PBE", "project": "tmfp06d", "frequency": 844.39117551958805, "time": 4090.4064071178436}


unique_id: e9df8af11463c85b75b1ad595235cabb
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 349 characters]

key_value_pairs:
  {"name": "Sc2", "basis": "def2-qzvppd", "relativistic": 0.0, "relaxed": false, "calculator_version": "6.1.1", "xc": "PBE", "project": "tmfp06d", "frequency": 207.78119070425322, "time": 5230.6140580177307}


unique_id: db781ff25b50e3676c8b5f3bc346e8d8
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 349 characters]

key_value_pairs:
  {"name": "Ni2", "basis": "def2-qzvppd", "relativistic": 0.0, "relaxed": true, "calculator_version": "6.1.1", "xc": "PBE", "project": "tmfp06d", "frequency": 308.99181939400302, "time": 10020.364989042282}


unique_id: c74c6358b3d7392f1969122a592ba1d9
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 349 characters]

key_value_pairs:
  {"name": "ScH", "basis": "def2-qzvppd", "relativistic": 0.0, "relaxed": false, "calculator_version": "6.1.1", "xc": "PBE", "project": "tmfp06d", "frequency": 1552.6118408839568, "time": 909.80275893211365}


unique_id: 542abe53ce5351804a31453f0dc849e0
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 349 characters]

key_value_pairs:
  {"name": "ScH", "basis": "def2-qzvppd", "relativistic": 0.0, "relaxed": true, "calculator_version": "6.1.1", "xc": "PBE", "project": "tmfp06d", "frequency": 1577.0853395959946, "time": 974.03781414031982}


unique_id: 7d785ac3c3c88b9a0c8cde331d013c1c
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 349 characters]

key_value_pairs:
  {"name": "Sc2", "basis": "def2-qzvppd", "relativistic": 0.0, "relaxed": true, "calculator_version": "6.1.1", "xc": "PBE", "project": "tmfp06d", "frequency": 244.82307869287064, "time": 6474.1679520606995}


unique_id: c8bec4bd724e40a3c9088bad6ea4596d
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 349 characters]

key_value_pairs:
  {"name": "ScN", "basis": "def2-qzvppd", "relativistic": 0.0, "relaxed": false, "calculator_version": "6.1.1", "xc": "PBE", "project": "tmfp06d", "frequency": 880.94614758704586, "time": 3023.0850989818573}


unique_id: d85881eadc5834a2ca69408cbc50d05e
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 349 characters]

key_value_pairs:
  {"name": "ScO", "basis": "def2-qzvppd", "relativistic": 0.0, "relaxed": false, "calculator_version": "6.1.1", "xc": "PBE", "project": "tmfp06d", "frequency": 957.59032316179844, "time": 2257.2185249328613}


unique_id: e4bfacd82e59c6efff49fa2d0d9c20f1
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 349 characters]

key_value_pairs:
  {"name": "ScO", "basis": "def2-qzvppd", "relativistic": 0.0, "relaxed": true, "calculator_version": "6.1.1", "xc": "PBE", "project": "tmfp06d", "frequency": 968.87801036256701, "time": 2399.2057909965515}


unique_id: 56ea16d66c54d89b3dbffc369f41045b
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 349 characters]

key_value_pairs:
  {"name": "Ti", "basis": "def2-qzvppd", "relativistic": 0.0, "relaxed": false, "calculator_version": "6.1.1", "xc": "PBE", "project": "tmfp06d", "time": 72.611141920089722}


unique_id: a2b74d62c86c400c9b141961f55a91fd
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 349 characters]

key_value_pairs:
  {"name": "ScN", "basis": "def2-qzvppd", "relativistic": 0.0, "relaxed": true, "calculator_version": "6.1.1", "xc": "PBE", "project": "tmfp06d", "frequency": 920.41574108996076, "time": 3728.0809900760651}


unique_id: 3fa1a72b149535ba0470a75e80a19b7b
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 349 characters]

key_value_pairs:
  {"name": "TiF", "basis": "def2-qzvppd", "relativistic": 0.0, "relaxed": false, "calculator_version": "6.1.1", "xc": "PBE", "project": "tmfp06d", "frequency": 592.74303716940949, "time": 4034.6294431686401}


unique_id: 963cdaf93b0ca04409735ec2394b75fa
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 349 characters]

key_value_pairs:
  {"name": "Ti2", "basis": "def2-qzvppd", "relativistic": 0.0, "relaxed": false, "calculator_version": "6.1.1", "xc": "PBE", "project": "tmfp06d", "frequency": 398.16928609716626, "time": 6607.5694890022278}


unique_id: 67fc7b25ff6a90f3f95593bbf778966f
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 349 characters]

key_value_pairs:
  {"name": "TiH", "basis": "def2-qzvppd", "relativistic": 0.0, "relaxed": false, "calculator_version": "6.1.1", "xc": "PBE", "project": "tmfp06d", "frequency": 1496.5017829358737, "time": 631.85079216957092}


unique_id: e038ba56d01f6dce6ec3a3eb0b4e6270
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 349 characters]

key_value_pairs:
  {"name": "TiH", "basis": "def2-qzvppd", "relativistic": 0.0, "relaxed": true, "calculator_version": "6.1.1", "xc": "PBE", "project": "tmfp06d", "frequency": 1544.0215645838441, "time": 715.95071697235107}


unique_id: 68fe7b7dbe62daa6e22bdeee13e06649
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 349 characters]

key_value_pairs:
  {"name": "TiF", "basis": "def2-qzvppd", "relativistic": 0.0, "relaxed": true, "calculator_version": "6.1.1", "xc": "PBE", "project": "tmfp06d", "frequency": 697.18965212940668, "time": 4350.7543349266052}


unique_id: 45c55f54a5395ca5823bb026e27bd6ca
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 349 characters]

key_value_pairs:
  {"name": "TiN", "basis": "def2-qzvppd", "relativistic": 0.0, "relaxed": false, "calculator_version": "6.1.1", "xc": "PBE", "project": "tmfp06d", "frequency": 1090.8947612786503, "time": 1405.2317659854889}


unique_id: d2207c60b83e965305af6228b2808ba8
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 349 characters]

key_value_pairs:
  {"name": "V", "basis": "def2-qzvppd", "relativistic": 0.0, "relaxed": false, "calculator_version": "6.1.1", "xc": "PBE", "project": "tmfp06d", "time": 40.339914083480835}


unique_id: 90e33a078392d123de9d20a0354366fc
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 349 characters]

key_value_pairs:
  {"name": "TiN", "basis": "def2-qzvppd", "relativistic": 0.0, "relaxed": true, "calculator_version": "6.1.1", "xc": "PBE", "project": "tmfp06d", "frequency": 1091.6042479470793, "time": 1514.2077171802521}


unique_id: f45d4e88a69827baba95712239008881
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 349 characters]

key_value_pairs:
  {"name": "V2", "basis": "def2-qzvppd", "relativistic": 0.0, "relaxed": false, "calculator_version": "6.1.1", "xc": "PBE", "project": "tmfp06d", "frequency": 589.99147000491007, "time": 1906.3410239219666}


unique_id: 24b514595efb828998addf45b9172bc3
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 349 characters]

key_value_pairs:
  {"name": "VN", "basis": "def2-qzvppd", "relativistic": 0.0, "relaxed": false, "calculator_version": "6.1.1", "xc": "PBE", "project": "tmfp06d", "frequency": 1032.2756351781777, "time": 1440.6592860221863}


unique_id: f3b6bbfb967164c9eb41fd76af710da8
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 349 characters]

key_value_pairs:
  {"name": "TiO", "basis": "def2-qzvppd", "relativistic": 0.0, "relaxed": false, "calculator_version": "6.1.1", "xc": "PBE", "project": "tmfp06d", "frequency": 1002.1083178960893, "time": 4846.8571259975433}


unique_id: 3d1d12f45d2ffe862bef91994bd3898e
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 349 characters]

key_value_pairs:
  {"name": "V2", "basis": "def2-qzvppd", "relativistic": 0.0, "relaxed": true, "calculator_version": "6.1.1", "xc": "PBE", "project": "tmfp06d", "frequency": 656.68662934396377, "time": 2164.5714890956879}


unique_id: 84eeee94bd7c1c475f936557451ea6ed
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 349 characters]

key_value_pairs:
  {"name": "Ti2", "basis": "def2-qzvppd", "relativistic": 0.0, "relaxed": true, "calculator_version": "6.1.1", "xc": "PBE", "project": "tmfp06d", "frequency": 468.85519565026732, "time": 8123.6221160888672}


unique_id: eb023c8c2fe440d29a8ff55afbb2157d
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 349 characters]

key_value_pairs:
  {"name": "Zn", "basis": "def2-qzvppd", "relativistic": 0.0, "relaxed": false, "calculator_version": "6.1.1", "xc": "PBE", "project": "tmfp06d", "time": 20.971220970153809}


unique_id: b35814b11b77b171572fbdcb7b554102
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 349 characters]

key_value_pairs:
  {"name": "VN", "basis": "def2-qzvppd", "relativistic": 0.0, "relaxed": true, "calculator_version": "6.1.1", "xc": "PBE", "project": "tmfp06d", "frequency": 1096.2313070537443, "time": 1631.1206409931183}


unique_id: d4f35f754dd4063223f83666764f7736
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 349 characters]

key_value_pairs:
  {"name": "VO", "basis": "def2-qzvppd", "relativistic": 0.0, "relaxed": false, "calculator_version": "6.1.1", "xc": "PBE", "project": "tmfp06d", "frequency": 1006.3474583224024, "time": 972.66054797172546}


unique_id: 58ebdde2ff329d578a1338ecb5acce14
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 349 characters]

key_value_pairs:
  {"name": "ZnO", "basis": "def2-qzvppd", "relativistic": 0.0, "relaxed": false, "calculator_version": "6.1.1", "xc": "PBE", "project": "tmfp06d", "frequency": 705.3129424308961, "time": 1181.9162840843201}


unique_id: 286104b3d34ad35f57cb57becf564b7d
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 349 characters]

key_value_pairs:
  {"name": "VO", "basis": "def2-qzvppd", "relativistic": 0.0, "relaxed": true, "calculator_version": "6.1.1", "xc": "PBE", "project": "tmfp06d", "frequency": 1017.8369487106661, "time": 1043.5739240646362}


unique_id: 35407cd6e5387d0e449cb3fd19a454bb
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 349 characters]

key_value_pairs:
  {"name": "ZnO", "basis": "def2-qzvppd", "relativistic": 0.0, "relaxed": true, "calculator_version": "6.1.1", "xc": "PBE", "project": "tmfp06d", "frequency": 752.07654363326083, "time": 1364.6367840766907}


unique_id: ebc26ee5af5b8ade09a1f92533d5d5b4
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 349 characters]

key_value_pairs:
  {"name": "Zn2", "basis": "def2-qzvppd", "relativistic": 0.0, "relaxed": false, "calculator_version": "6.1.1", "xc": "PBE", "project": "tmfp06d", "frequency": 239.17240487824378, "time": 3115.8421421051025}


unique_id: 5a7dd5e1a4707f71c49d7848e96ba12b
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 349 characters]

key_value_pairs:
  {"name": "TiO", "basis": "def2-qzvppd", "relativistic": 0.0, "relaxed": true, "calculator_version": "6.1.1", "xc": "PBE", "project": "tmfp06d", "frequency": 1011.4173127504987, "time": 4027.9560539722443}


unique_id: 6c82b87a529dcf8793ef20c8590c0abf
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 349 characters]

key_value_pairs:
  {"name": "Zn2", "basis": "def2-qzvppd", "relativistic": 0.0, "relaxed": true, "calculator_version": "6.1.1", "xc": "PBE", "project": "tmfp06d", "frequency": 51.908018382485672, "time": 4611.8341171741486}


unique_id: 8a3f5fa0c3b00d3846b2f999a0bde18c
username: dulak
calculator: nwchem
data: null
calculator_parameters:
  {"tolerances": "tight", "basis": "def2-qzvppd", "geometry": "noautosym nocenter noautoz", "xc": "PBE", "direct": "noio", "raw": "set int:txs:limxmem 134217728\nmemory total 8000 Mb noverify\n", "basispar": "spherical", "grid": "nodisk", "maxiter": 777, "convergence": {"gradient": null, "energy": null, "damp": null, "lshift": 0.0, "density": null}}

key_value_pairs:
  {"name": "Mn", "basis": "def2-qzvppd", "relativistic": 0.0, "relaxed": false, "calculator_version": "6.1.1", "xc": "PBE", "project": "tmfp06d", "time": 28.183319091796875}


unique_id: c1bae23123041d98a5918c41cb2dea35
username: dulak
data: null
key_value_pairs:
  {"project": "tmfp06d", "name": "Mn2", "calculator_version": "6.1.1", "relativistic": 0.0, "basis": "def2-qzvppd", "xc": "PBE"}


unique_id: 9477404b4c2bbec0b6ee781f37170a9a
username: dulak
calculator: nwchem
data: null
calculator_parameters:
  {"tolerances": "tight", "basis": "def2-qzvppd", "geometry": "noautosym nocenter noautoz", "xc": "PBE", "direct": "noio", "raw": "set int:txs:limxmem 134217728\nmemory total 8000 Mb noverify\n", "basispar": "spherical", "grid": "nodisk", "maxiter": 777, "convergence": {"gradient": null, "energy": null, "damp": null, "lshift": 0.0, "density": null}}

key_value_pairs:
  {"name": "Sc", "basis": "def2-qzvppd", "relativistic": 0.0, "relaxed": false, "calculator_version": "6.1.1", "xc": "PBE", "project": "tmfp06d", "time": 235.7593560218811}


unique_id: 8871d387a0b74a03e750ed033700fa9e
username: dulak
data: null
key_value_pairs:
  {"project": "tmfp06d", "name": "ScF", "calculator_version": "6.1.1", "relativistic": 0.0, "basis": "def2-qzvppd", "xc": "PBE"}


unique_id: a2ea5a2f8f02c967c99d788b46f42a74
username: dulak
calculator: nwchem
data: null
calculator_parameters:
  {"tolerances": "tight", "basis": "aug-cc-pvqz", "geometry": "noautosym nocenter noautoz", "xc": "PBE", "direct": "noio", "raw": "set int:txs:limxmem 134217728\nmemory total 8000 Mb noverify\n", "basispar": "spherical", "grid": "nodisk", "maxiter": 150, "convergence": {"gradient": null, "energy": null, "damp": null, "lshift": 0.0, "density": null}}

key_value_pairs:
  {"name": "H", "basis": "aug-cc-pvqz", "relativistic": 0.0, "relaxed": false, "calculator_version": "6.1.1", "xc": "PBE", "project": "tmfp06d", "time": 2.7647330760955811}


unique_id: 2794d3fe17772b172f645386fe2f8524
username: dulak
calculator: nwchem
data: null
calculator_parameters:
  {"tolerances": "tight", "basis": "aug-cc-pvqz", "geometry": "noautosym nocenter noautoz", "xc": "PBE", "direct": "noio", "raw": "set int:txs:limxmem 134217728\nmemory total 8000 Mb noverify\n", "basispar": "spherical", "grid": "nodisk", "maxiter": 150, "convergence": {"gradient": null, "energy": null, "damp": null, "lshift": 0.0, "density": null}}

key_value_pairs:
  {"name": "N", "basis": "aug-cc-pvqz", "relativistic": 0.0, "relaxed": false, "calculator_version": "6.1.1", "xc": "PBE", "project": "tmfp06d", "time": 3.8823590278625488}


unique_id: 645cb4c75c36e16e475fb28090f49776
username: dulak
calculator: nwchem
data: null
calculator_parameters:
  {"tolerances": "tight", "basis": "aug-cc-pvqz", "geometry": "noautosym nocenter noautoz", "xc": "PBE", "direct": "noio", "raw": "set int:txs:limxmem 134217728\nmemory total 8000 Mb noverify\n", "basispar": "spherical", "grid": "nodisk", "maxiter": 150, "convergence": {"gradient": null, "energy": null, "damp": null, "lshift": 0.0, "density": null}}

key_value_pairs:
  {"name": "O", "basis": "aug-cc-pvqz", "relativistic": 0.0, "relaxed": false, "calculator_version": "6.1.1", "xc": "PBE", "project": "tmfp06d", "time": 4.9281220436096191}


unique_id: db663441a64508d21936d9240d6a4d34
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 349 characters]

key_value_pairs:
  {"name": "F", "basis": "aug-cc-pvqz", "relativistic": 0.0, "relaxed": false, "calculator_version": "6.1.1", "xc": "PBE", "project": "tmfp06d", "time": 5.6429738998413086}


unique_id: 88f400ce018d914607073a0ae933f71d
username: dulak
data: null
key_value_pairs:
  {"project": "tmfp06d", "name": "Ca", "calculator_version": "6.1.1", "relativistic": 0.0, "basis": "aug-cc-pvqz", "xc": "PBE"}


unique_id: 2d567db77f9cc338d1097102e30b1c27
username: dulak
data: null
key_value_pairs:
  {"project": "tmfp06d", "name": "Ca2", "calculator_version": "6.1.1", "relativistic": 0.0, "basis": "aug-cc-pvqz", "xc": "PBE"}


unique_id: 10581009419ddb336928b64a4c8f055b
username: dulak
data: null
key_value_pairs:
  {"project": "tmfp06d", "name": "CaF", "calculator_version": "6.1.1", "relativistic": 0.0, "basis": "aug-cc-pvqz", "xc": "PBE"}


unique_id: ecda77ac8af04da8e3c80912fded46eb
username: dulak
data: null
key_value_pairs:
  {"project": "tmfp06d", "name": "CaH", "calculator_version": "6.1.1", "relativistic": 0.0, "basis": "aug-cc-pvqz", "xc": "PBE"}


unique_id: 6a8fd8cad813c84cef9009794db659f2
username: dulak
data: null
key_value_pairs:
  {"project": "tmfp06d", "name": "CaO", "calculator_version": "6.1.1", "relativistic": 0.0, "basis": "aug-cc-pvqz", "xc": "PBE"}


unique_id: edc1e62dd19c8dfb804967d30caeed88
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 349 characters]

key_value_pairs:
  {"name": "Co", "basis": "aug-cc-pvqz", "relativistic": 0.0, "relaxed": false, "calculator_version": "6.1.1", "xc": "PBE", "project": "tmfp06d", "time": 6108.1435720920563}


unique_id: a92b7a5786480f5393043af384893164
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 349 characters]

key_value_pairs:
  {"name": "Cr", "basis": "aug-cc-pvqz", "relativistic": 0.0, "relaxed": false, "calculator_version": "6.1.1", "xc": "PBE", "project": "tmfp06d", "time": 1143.8588588237762}


unique_id: de006239331ab7949b7aa2d385764cfa
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 349 characters]

key_value_pairs:
  {"name": "Cu", "basis": "aug-cc-pvqz", "relativistic": 0.0, "relaxed": false, "calculator_version": "6.1.1", "xc": "PBE", "project": "tmfp06d", "time": 1355.5869989395142}


unique_id: 43b7777cbbc34dd56ba2a05061fe39f8
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 349 characters]

key_value_pairs:
  {"name": "Fe", "basis": "aug-cc-pvqz", "relativistic": 0.0, "relaxed": false, "calculator_version": "6.1.1", "xc": "PBE", "project": "tmfp06d", "time": 4399.0167698860168}


unique_id: 197a788c758a06da9b5f79e3ed5a988a
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 349 characters]

key_value_pairs:
  {"name": "CoH", "basis": "aug-cc-pvqz", "relativistic": 0.0, "relaxed": false, "calculator_version": "6.1.1", "xc": "PBE", "project": "tmfp06d", "frequency": 1755.4209525196757, "time": 36690.69547700882}


unique_id: 5f3b14106c1a29210e2d8ca82b4edcfa
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 349 characters]

key_value_pairs:
  {"name": "CrH", "basis": "aug-cc-pvqz", "relativistic": 0.0, "relaxed": false, "calculator_version": "6.1.1", "xc": "PBE", "project": "tmfp06d", "frequency": 1630.772141657789, "time": 34146.945896863937}


unique_id: 332cb9a501551250638563df2b9be2e3
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 349 characters]

key_value_pairs:
  {"name": "CuH", "basis": "aug-cc-pvqz", "relativistic": 0.0, "relaxed": false, "calculator_version": "6.1.1", "xc": "PBE", "project": "tmfp06d", "frequency": 2017.1034189057489, "time": 34996.321898937225}


unique_id: 85d548d47bb2749df0bbe4c334646eb5
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 349 characters]

key_value_pairs:
  {"name": "CrF", "basis": "aug-cc-pvqz", "relativistic": 0.0, "relaxed": false, "calculator_version": "6.1.1", "xc": "PBE", "project": "tmfp06d", "frequency": 648.82651798382255, "time": 43506.962525844574}


unique_id: 9b663f884f75f60b5518d8e5f099d316
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 349 characters]

key_value_pairs:
  {"name": "FeH", "basis": "aug-cc-pvqz", "relativistic": 0.0, "relaxed": false, "calculator_version": "6.1.1", "xc": "PBE", "project": "tmfp06d", "frequency": 1555.4296223882845, "time": 31547.806034088135}


unique_id: 6c5cd6e1c3bc13664a12e648e9ae957b
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 349 characters]

key_value_pairs:
  {"name": "CrO", "basis": "aug-cc-pvqz", "relativistic": 0.0, "relaxed": false, "calculator_version": "6.1.1", "xc": "PBE", "project": "tmfp06d", "frequency": 905.66896790474436, "time": 51060.073434114456}


unique_id: c25fa2fe6cac1ac39cb3323b8a81ba99
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 349 characters]

key_value_pairs:
  {"name": "CuF", "basis": "aug-cc-pvqz", "relativistic": 0.0, "relaxed": false, "calculator_version": "6.1.1", "xc": "PBE", "project": "tmfp06d", "frequency": 630.01160841807871, "time": 50246.244082927704}


unique_id: 6836a451c4d02cd1950711a5ddd4df7d
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 349 characters]

key_value_pairs:
  {"name": "CuO", "basis": "aug-cc-pvqz", "relativistic": 0.0, "relaxed": false, "calculator_version": "6.1.1", "xc": "PBE", "project": "tmfp06d", "frequency": 656.54505473425706, "time": 51566.090971946716}


unique_id: a594f509ccdf904256ffbb1ac4cf7b68
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 349 characters]

key_value_pairs:
  {"name": "FeF", "basis": "aug-cc-pvqz", "relativistic": 0.0, "relaxed": false, "calculator_version": "6.1.1", "xc": "PBE", "project": "tmfp06d", "frequency": 643.13854957406295, "time": 45606.624678850174}


unique_id: 1c9788bc566a393c397b9670c0b865f4
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 349 characters]

key_value_pairs:
  {"name": "CoO", "basis": "aug-cc-pvqz", "relativistic": 0.0, "relaxed": false, "calculator_version": "6.1.1", "xc": "PBE", "project": "tmfp06d", "frequency": 803.89631161823422, "time": 68078.428488969803}


unique_id: c836d458e13cb84080d1115d1560dae0
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 349 characters]

key_value_pairs:
  {"name": "CrN", "basis": "aug-cc-pvqz", "relativistic": 0.0, "relaxed": false, "calculator_version": "6.1.1", "xc": "PBE", "project": "tmfp06d", "frequency": 951.5883743154501, "time": 58744.900279045105}


unique_id: 20aeacb4a8287b0b31bf4697418b4aeb
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 349 characters]

key_value_pairs:
  {"name": "CoH", "basis": "aug-cc-pvqz", "relativistic": 0.0, "relaxed": true, "calculator_version": "6.1.1", "xc": "PBE", "project": "tmfp06d", "frequency": 1806.3446086511779, "time": 41235.744215965271}


unique_id: 699db5074e98dec9798c428e0d61c8dc
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 349 characters]

key_value_pairs:
  {"name": "CrH", "basis": "aug-cc-pvqz", "relativistic": 0.0, "relaxed": true, "calculator_version": "6.1.1", "xc": "PBE", "project": "tmfp06d", "frequency": 1634.669889688895, "time": 36886.691842079163}


unique_id: fc614ecc48c7e983e7d7c32ba1832564
username: dulak
data: null
key_value_pairs:
  {"project": "tmfp06d", "name": "K", "calculator_version": "6.1.1", "relativistic": 0.0, "basis": "aug-cc-pvqz", "xc": "PBE"}


unique_id: 218d477e289435638fc50c6cb57beae0
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 349 characters]

key_value_pairs:
  {"name": "CuH", "basis": "aug-cc-pvqz", "relativistic": 0.0, "relaxed": true, "calculator_version": "6.1.1", "xc": "PBE", "project": "tmfp06d", "frequency": 1954.8326223262698, "time": 40182.913340091705}


unique_id: 425fe8f82f991333215b556383312e8e
username: dulak
data: null
key_value_pairs:
  {"project": "tmfp06d", "name": "K2", "calculator_version": "6.1.1", "relativistic": 0.0, "basis": "aug-cc-pvqz", "xc": "PBE"}


unique_id: e446846b2556076d7d2cb824282d3652
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 349 characters]

key_value_pairs:
  {"name": "FeH", "basis": "aug-cc-pvqz", "relativistic": 0.0, "relaxed": true, "calculator_version": "6.1.1", "xc": "PBE", "project": "tmfp06d", "frequency": 1825.886117070997, "time": 38835.399122953415}


unique_id: f6f0e36cc33d95d31f7d30f25ca61f63
username: dulak
data: null
key_value_pairs:
  {"project": "tmfp06d", "name": "KF", "calculator_version": "6.1.1", "relativistic": 0.0, "basis": "aug-cc-pvqz", "xc": "PBE"}


unique_id: b105db90c266ea59eb35d2ab40253845
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 349 characters]

key_value_pairs:
  {"name": "CrF", "basis": "aug-cc-pvqz", "relativistic": 0.0, "relaxed": true, "calculator_version": "6.1.1", "xc": "PBE", "project": "tmfp06d", "frequency": 637.61645156439249, "time": 46874.869881868362}


unique_id: e2a6713c142288362219babee3b42703
username: dulak
data: null
key_value_pairs:
  {"project": "tmfp06d", "name": "KH", "calculator_version": "6.1.1", "relativistic": 0.0, "basis": "aug-cc-pvqz", "xc": "PBE"}


unique_id: e0c3c5f84334297e1b0815122cfbbe34
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 349 characters]

key_value_pairs:
  {"name": "FeF", "basis": "aug-cc-pvqz", "relativistic": 0.0, "relaxed": true, "calculator_version": "6.1.1", "xc": "PBE", "project": "tmfp06d", "frequency": 638.84746044621568, "time": 47621.530124902725}


unique_id: 87d57d5f705d49a562a73b7e851f31cb
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 349 characters]

key_value_pairs:
  {"name": "Mn", "basis": "aug-cc-pvqz", "relativistic": 0.0, "relaxed": false, "calculator_version": "6.1.1", "xc": "PBE", "project": "tmfp06d", "time": 1917.8464648723602}


unique_id: dac5c0075a794d6fc45f6c34a2e9f3d8
username: dulak
data: null
key_value_pairs:
  {"project": "tmfp06d", "name": "Mn2", "calculator_version": "6.1.1", "relativistic": 0.0, "basis": "aug-cc-pvqz", "xc": "PBE"}


unique_id: 668dac5787347a86393affa37b5184be
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 349 characters]

key_value_pairs:
  {"name": "CuF", "basis": "aug-cc-pvqz", "relativistic": 0.0, "relaxed": true, "calculator_version": "6.1.1", "xc": "PBE", "project": "tmfp06d", "frequency": 601.75866325904553, "time": 57700.979603052139}


unique_id: 3427cb2c5db45789b456a115c43cec50
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 349 characters]

key_value_pairs:
  {"name": "CuO", "basis": "aug-cc-pvqz", "relativistic": 0.0, "relaxed": true, "calculator_version": "6.1.1", "xc": "PBE", "project": "tmfp06d", "frequency": 666.58306446893175, "time": 55623.451829910278}


unique_id: a50d1865adc2e3974d1a1116563ca209
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 349 characters]

key_value_pairs:
  {"name": "CrO", "basis": "aug-cc-pvqz", "relativistic": 0.0, "relaxed": true, "calculator_version": "6.1.1", "xc": "PBE", "project": "tmfp06d", "frequency": 922.7940648980649, "time": 61860.193573951721}


unique_id: 9abc6856a00909d3f74879e01055a593
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 349 characters]

key_value_pairs:
  {"name": "Ni", "basis": "aug-cc-pvqz", "relativistic": 0.0, "relaxed": false, "calculator_version": "6.1.1", "xc": "PBE", "project": "tmfp06d", "time": 6437.9495489597321}


unique_id: 987e71cba8dff013d5f194e3f97416a6
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 349 characters]

key_value_pairs:
  {"name": "FeO", "basis": "aug-cc-pvqz", "relativistic": 0.0, "relaxed": false, "calculator_version": "6.1.1", "xc": "PBE", "project": "tmfp06d", "frequency": 890.50370773141196, "time": 60001.275146961212}


unique_id: 56f6131d1a42a38b5c3f32f8b2aaff51
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 349 characters]

key_value_pairs:
  {"name": "CrN", "basis": "aug-cc-pvqz", "relativistic": 0.0, "relaxed": true, "calculator_version": "6.1.1", "xc": "PBE", "project": "tmfp06d", "frequency": 1030.2702280887559, "time": 67108.541877985001}


unique_id: 3870f118d518fd66d266a724d475d309
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 349 characters]

key_value_pairs:
  {"name": "MnH", "basis": "aug-cc-pvqz", "relativistic": 0.0, "relaxed": false, "calculator_version": "6.1.1", "xc": "PBE", "project": "tmfp06d", "frequency": 1493.336443778978, "time": 31050.936134815216}


unique_id: 92f9e8e349aee15671b7b0e47eca0cc6
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 349 characters]

key_value_pairs:
  {"name": "CoO", "basis": "aug-cc-pvqz", "relativistic": 0.0, "relaxed": true, "calculator_version": "6.1.1", "xc": "PBE", "project": "tmfp06d", "frequency": 829.68365245159157, "time": 83417.756993055344}


unique_id: fd9ae45acb011ab6ef48a896bd30bbed
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 349 characters]

key_value_pairs:
  {"name": "MnO", "basis": "aug-cc-pvqz", "relativistic": 0.0, "relaxed": false, "calculator_version": "6.1.1", "xc": "PBE", "project": "tmfp06d", "frequency": 857.88279459634975, "time": 49276.274230957031}


unique_id: fc46cda32804c46802466e788542b24f
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 349 characters]

key_value_pairs:
  {"name": "Cu2", "basis": "aug-cc-pvqz", "relativistic": 0.0, "relaxed": false, "calculator_version": "6.1.1", "xc": "PBE", "project": "tmfp06d", "frequency": 271.62986224873754, "time": 162799.48618984222}


unique_id: ddff7f4e6fa5f9fb05cca0b94853d453
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 349 characters]

key_value_pairs:
  {"name": "NiH", "basis": "aug-cc-pvqz", "relativistic": 0.0, "relaxed": false, "calculator_version": "6.1.1", "xc": "PBE", "project": "tmfp06d", "frequency": 1956.9955258030527, "time": 42291.38106584549}


unique_id: 212714ed026baee1d119792b442a3863
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 349 characters]

key_value_pairs:
  {"name": "MnH", "basis": "aug-cc-pvqz", "relativistic": 0.0, "relaxed": true, "calculator_version": "6.1.1", "xc": "PBE", "project": "tmfp06d", "frequency": 1561.549538945435, "time": 35769.415179014206}


unique_id: 7f4f4ffb2ca9cb760c33159aedfa89c4
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 349 characters]

key_value_pairs:
  {"name": "Sc", "basis": "aug-cc-pvqz", "relativistic": 0.0, "relaxed": false, "calculator_version": "6.1.1", "xc": "PBE", "project": "tmfp06d", "time": 2015.9615349769592}


unique_id: c00f03144e3131890695a7ffa9b56620
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 349 characters]

key_value_pairs:
  {"name": "FeO", "basis": "aug-cc-pvqz", "relativistic": 0.0, "relaxed": true, "calculator_version": "6.1.1", "xc": "PBE", "project": "tmfp06d", "frequency": 917.24511031448253, "time": 60410.173401832581}


unique_id: 67ac1c4befcb9ef72d2891a6714e9ca5
username: dulak
data: null
key_value_pairs:
  {"project": "tmfp06d", "name": "ScF", "calculator_version": "6.1.1", "relativistic": 0.0, "basis": "aug-cc-pvqz", "xc": "PBE"}


unique_id: 876d3288347d0d29ee8db5686458963f
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 349 characters]

key_value_pairs:
  {"name": "NiO", "basis": "aug-cc-pvqz", "relativistic": 0.0, "relaxed": false, "calculator_version": "6.1.1", "xc": "PBE", "project": "tmfp06d", "frequency": 851.27838894523779, "time": 54905.11040687561}


unique_id: cea27a9191b51517994f2d9c4225ad2f
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 349 characters]

key_value_pairs:
  {"name": "Co2", "basis": "aug-cc-pvqz", "relativistic": 0.0, "relaxed": false, "calculator_version": "6.1.1", "xc": "PBE", "project": "tmfp06d", "frequency": 380.8327493455493, "time": 218706.67094302177}


unique_id: 3aa7d75e9a7ec7880592f350567d074f
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 349 characters]

key_value_pairs:
  {"name": "MnO", "basis": "aug-cc-pvqz", "relativistic": 0.0, "relaxed": true, "calculator_version": "6.1.1", "xc": "PBE", "project": "tmfp06d", "frequency": 906.61786124301545, "time": 53268.64595413208}


unique_id: b212488799f39aaa1279b7a459512de7
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 349 characters]

key_value_pairs:
  {"name": "NiH", "basis": "aug-cc-pvqz", "relativistic": 0.0, "relaxed": true, "calculator_version": "6.1.1", "xc": "PBE", "project": "tmfp06d", "frequency": 1993.431131268077, "time": 45741.021867036819}


unique_id: e430ba9190a5d4865e096a8103d94606
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 349 characters]

key_value_pairs:
  {"name": "Cr2", "basis": "aug-cc-pvqz", "relativistic": 0.0, "relaxed": false, "calculator_version": "6.1.1", "xc": "PBE", "project": "tmfp06d", "frequency": 589.45565048236688, "time": 228740.56110310555}


unique_id: d8fb5fd661ad857d343ccba0b36e86ff
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 349 characters]

key_value_pairs:
  {"name": "Fe2", "basis": "aug-cc-pvqz", "relativistic": 0.0, "relaxed": false, "calculator_version": "6.1.1", "xc": "PBE", "project": "tmfp06d", "frequency": 385.23202643935713, "time": 225024.63489603996}


unique_id: b3429bb6e0604e08183532862099edfb
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 349 characters]

key_value_pairs:
  {"name": "ScH", "basis": "aug-cc-pvqz", "relativistic": 0.0, "relaxed": false, "calculator_version": "6.1.1", "xc": "PBE", "project": "tmfp06d", "frequency": 1530.2974202601433, "time": 32207.258167982101}


unique_id: baa4322ba884036da61df78c794139bc
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 349 characters]

key_value_pairs:
  {"name": "NiO", "basis": "aug-cc-pvqz", "relativistic": 0.0, "relaxed": true, "calculator_version": "6.1.1", "xc": "PBE", "project": "tmfp06d", "frequency": 844.62165409628631, "time": 59677.300771951675}


unique_id: 96bb91c276c5b1a67f6a5d7056961d0f
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 349 characters]

key_value_pairs:
  {"name": "ScN", "basis": "aug-cc-pvqz", "relativistic": 0.0, "relaxed": false, "calculator_version": "6.1.1", "xc": "PBE", "project": "tmfp06d", "frequency": 881.94884940813688, "time": 62104.030621051788}


unique_id: dc437ba4d8e60cadfe04ab01eb6e284c
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 349 characters]

key_value_pairs:
  {"name": "ScH", "basis": "aug-cc-pvqz", "relativistic": 0.0, "relaxed": true, "calculator_version": "6.1.1", "xc": "PBE", "project": "tmfp06d", "frequency": 1568.5178361983656, "time": 37203.547448158264}


unique_id: de6826146217f02902e0d7a79f5ac07b
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 349 characters]

key_value_pairs:
  {"name": "Ti", "basis": "aug-cc-pvqz", "relativistic": 0.0, "relaxed": false, "calculator_version": "6.1.1", "xc": "PBE", "project": "tmfp06d", "time": 3762.0099658966064}


unique_id: 6079c4362f62e52608b2431da21baf45
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 349 characters]

key_value_pairs:
  {"name": "ScO", "basis": "aug-cc-pvqz", "relativistic": 0.0, "relaxed": false, "calculator_version": "6.1.1", "xc": "PBE", "project": "tmfp06d", "frequency": 959.93872502858846, "time": 56362.752217054367}


unique_id: de032e983c7f72c9dfe5a7084f22177e
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 349 characters]

key_value_pairs:
  {"name": "Ni2", "basis": "aug-cc-pvqz", "relativistic": 0.0, "relaxed": false, "calculator_version": "6.1.1", "xc": "PBE", "project": "tmfp06d", "frequency": 295.271300765342, "time": 224350.1626060009}


unique_id: 4ca35bfe32c75aecd75855473fab698b
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 349 characters]

key_value_pairs:
  {"name": "Cu2", "basis": "aug-cc-pvqz", "relativistic": 0.0, "relaxed": true, "calculator_version": "6.1.1", "xc": "PBE", "project": "tmfp06d", "frequency": 254.82694131364562, "time": 184693.15528607368}


unique_id: c04cdf2d911a11eb2f1395783bded189
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 349 characters]

key_value_pairs:
  {"name": "ScN", "basis": "aug-cc-pvqz", "relativistic": 0.0, "relaxed": true, "calculator_version": "6.1.1", "xc": "PBE", "project": "tmfp06d", "frequency": 924.60285771300425, "time": 74114.831132888794}


unique_id: bd62563418f35ee5ebee4b838817afca
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 349 characters]

key_value_pairs:
  {"name": "ScO", "basis": "aug-cc-pvqz", "relativistic": 0.0, "relaxed": true, "calculator_version": "6.1.1", "xc": "PBE", "project": "tmfp06d", "frequency": 972.63176866218112, "time": 59890.893169879913}


unique_id: 1c0776c2994ad7c5ec0cf40084440d39
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 349 characters]

key_value_pairs:
  {"name": "TiH", "basis": "aug-cc-pvqz", "relativistic": 0.0, "relaxed": false, "calculator_version": "6.1.1", "xc": "PBE", "project": "tmfp06d", "frequency": 1496.4203696027266, "time": 80774.784668922424}


unique_id: d137bf82ab73b8763750c870657fd69a
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 349 characters]

key_value_pairs:
  {"name": "TiF", "basis": "aug-cc-pvqz", "relativistic": 0.0, "relaxed": false, "calculator_version": "6.1.1", "xc": "PBE", "project": "tmfp06d", "frequency": 590.09209643242366, "time": 82806.490823030472}


unique_id: a1cbf49500047428450fff2c74e8f9d7
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 349 characters]

key_value_pairs:
  {"name": "Sc2", "basis": "aug-cc-pvqz", "relativistic": 0.0, "relaxed": false, "calculator_version": "6.1.1", "xc": "PBE", "project": "tmfp06d", "frequency": 207.78119070425353, "time": 260966.40203499794}


unique_id: 50ed727b1a9f238af52d52d6be7f0c30
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 349 characters]

key_value_pairs:
  {"name": "Co2", "basis": "aug-cc-pvqz", "relativistic": 0.0, "relaxed": true, "calculator_version": "6.1.1", "xc": "PBE", "project": "tmfp06d", "frequency": 390.55271266777947, "time": 248602.27117204666}


unique_id: 398989806b66a51cdc4adb2960faa635
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 349 characters]

key_value_pairs:
  {"name": "V", "basis": "aug-cc-pvqz", "relativistic": 0.0, "relaxed": false, "calculator_version": "6.1.1", "xc": "PBE", "project": "tmfp06d", "time": 4145.7518429756165}


unique_id: fd1a0b494636d7670374fec27eb79c66
username: dulak
data: null
key_value_pairs:
  {"project": "tmfp06d", "name": "V2", "calculator_version": "6.1.1", "relativistic": 0.0, "basis": "aug-cc-pvqz", "xc": "PBE"}


unique_id: a410701dc41c743c8cbd14eb745fca47
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 349 characters]

key_value_pairs:
  {"name": "TiN", "basis": "aug-cc-pvqz", "relativistic": 0.0, "relaxed": false, "calculator_version": "6.1.1", "xc": "PBE", "project": "tmfp06d", "frequency": 1092.1722831636234, "time": 93675.889379024506}


unique_id: 6841eacadd8197642e2fc3b123c67e2f
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 349 characters]

key_value_pairs:
  {"name": "TiO", "basis": "aug-cc-pvqz", "relativistic": 0.0, "relaxed": false, "calculator_version": "6.1.1", "xc": "PBE", "project": "tmfp06d", "frequency": 1004.2875676269193, "time": 94571.800556898117}


unique_id: 1ef5c5c58ba52200b9b41d6d74761868
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 349 characters]

key_value_pairs:
  {"name": "Fe2", "basis": "aug-cc-pvqz", "relativistic": 0.0, "relaxed": true, "calculator_version": "6.1.1", "xc": "PBE", "project": "tmfp06d", "frequency": 401.65112457713116, "time": 265665.77679920197}


unique_id: 9eb99ffffa10ead1d67828d2ffba55fa
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 349 characters]

key_value_pairs:
  {"name": "Ti2", "basis": "aug-cc-pvqz", "relativistic": 0.0, "relaxed": false, "calculator_version": "6.1.1", "xc": "PBE", "project": "tmfp06d", "frequency": 397.15943153488763, "time": 218680.733948946}


unique_id: 71019f24bfa96c3cd3088e24d6c3096a
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 349 characters]

key_value_pairs:
  {"name": "Cr2", "basis": "aug-cc-pvqz", "relativistic": 0.0, "relaxed": true, "calculator_version": "6.1.1", "xc": "PBE", "project": "tmfp06d", "frequency": 814.20309051849756, "time": 288973.04751586914}


unique_id: 701e77b7f12aeab1105e0268d9c993ca
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 349 characters]

key_value_pairs:
  {"name": "TiF", "basis": "aug-cc-pvqz", "relativistic": 0.0, "relaxed": true, "calculator_version": "6.1.1", "xc": "PBE", "project": "tmfp06d", "frequency": 696.19822015591581, "time": 99173.928275823593}


unique_id: 273a55c331aba7780ac07898a9da8d47
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 349 characters]

key_value_pairs:
  {"name": "Zn", "basis": "aug-cc-pvqz", "relativistic": 0.0, "relaxed": false, "calculator_version": "6.1.1", "xc": "PBE", "project": "tmfp06d", "time": 2030.4197888374329}


unique_id: 47b116cec04f1aabb8abd96f69d2034e
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 349 characters]

key_value_pairs:
  {"name": "TiH", "basis": "aug-cc-pvqz", "relativistic": 0.0, "relaxed": true, "calculator_version": "6.1.1", "xc": "PBE", "project": "tmfp06d", "frequency": 1565.6589965512655, "time": 127136.80508804321}


unique_id: 623816b7eaa4a8f5ef7d739260e0c130
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 349 characters]

key_value_pairs:
  {"name": "VO", "basis": "aug-cc-pvqz", "relativistic": 0.0, "relaxed": false, "calculator_version": "6.1.1", "xc": "PBE", "project": "tmfp06d", "frequency": 1007.2600383859855, "time": 54539.15917301178}


unique_id: d5c2f61942e1da1927d4529e7d7f0b1e
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 349 characters]

key_value_pairs:
  {"name": "TiN", "basis": "aug-cc-pvqz", "relativistic": 0.0, "relaxed": true, "calculator_version": "6.1.1", "xc": "PBE", "project": "tmfp06d", "frequency": 1080.521074001291, "time": 101221.28718686104}


unique_id: d130bde242038a4d7a6e815d2a5cc942
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 349 characters]

key_value_pairs:
  {"name": "VN", "basis": "aug-cc-pvqz", "relativistic": 0.0, "relaxed": false, "calculator_version": "6.1.1", "xc": "PBE", "project": "tmfp06d", "frequency": 1034.8087019733705, "time": 71968.456199884415}


unique_id: 9e8669ae167f139b7a1445996e8b9f7a
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 349 characters]

key_value_pairs:
  {"name": "TiO", "basis": "aug-cc-pvqz", "relativistic": 0.0, "relaxed": true, "calculator_version": "6.1.1", "xc": "PBE", "project": "tmfp06d", "frequency": 1013.7492490711895, "time": 100836.43884587288}


unique_id: ff3c86afb2b7196c37b6548617a839df
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 349 characters]

key_value_pairs:
  {"name": "Ni2", "basis": "aug-cc-pvqz", "relativistic": 0.0, "relaxed": true, "calculator_version": "6.1.1", "xc": "PBE", "project": "tmfp06d", "frequency": 310.2998642948329, "time": 265219.19753599167}


unique_id: 8e6a46189b8468859938868f140cf145
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 349 characters]

key_value_pairs:
  {"name": "VO", "basis": "aug-cc-pvqz", "relativistic": 0.0, "relaxed": true, "calculator_version": "6.1.1", "xc": "PBE", "project": "tmfp06d", "frequency": 1018.8801469208638, "time": 57973.972252130508}


unique_id: b97d8dc518bd24ab6213febacdd0b2ae
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 349 characters]

key_value_pairs:
  {"name": "ZnO", "basis": "aug-cc-pvqz", "relativistic": 0.0, "relaxed": false, "calculator_version": "6.1.1", "xc": "PBE", "project": "tmfp06d", "frequency": 707.19978740293891, "time": 66403.202336072922}


unique_id: 2940840367320cae84f998991e2ee54a
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 349 characters]

key_value_pairs:
  {"name": "VN", "basis": "aug-cc-pvqz", "relativistic": 0.0, "relaxed": true, "calculator_version": "6.1.1", "xc": "PBE", "project": "tmfp06d", "frequency": 1099.6580150877699, "time": 80184.147062063217}


unique_id: 180f0a9efdbddfc3f14c8eab269ad491
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 349 characters]

key_value_pairs:
  {"name": "Zn2", "basis": "aug-cc-pvqz", "relativistic": 0.0, "relaxed": false, "calculator_version": "6.1.1", "xc": "PBE", "project": "tmfp06d", "frequency": 238.00723352483394, "time": 137699.01276803017}


unique_id: 828b3be6cba6a9651b240364b296a9f4
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 349 characters]

key_value_pairs:
  {"name": "V2", "basis": "aug-cc-pvqz", "relativistic": 0.0, "relaxed": false, "calculator_version": "6.1.1", "xc": "PBE", "project": "tmfp06d", "frequency": 588.67566311893506, "time": 228453.49020910263}


unique_id: b239fda7da05df79951468f803b29be8
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 349 characters]

key_value_pairs:
  {"name": "ZnO", "basis": "aug-cc-pvqz", "relativistic": 0.0, "relaxed": true, "calculator_version": "6.1.1", "xc": "PBE", "project": "tmfp06d", "frequency": 751.78719994894107, "time": 76467.192365884781}


unique_id: 5b25960e4bc26a34c5be0aa135ef4491
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 349 characters]

key_value_pairs:
  {"name": "Sc2", "basis": "aug-cc-pvqz", "relativistic": 0.0, "relaxed": true, "calculator_version": "6.1.1", "xc": "PBE", "project": "tmfp06d", "frequency": 245.5208528415599, "time": 321907.99367904663}


unique_id: c0d438b842d7404b18211bcb0c6c2aa4
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 349 characters]

key_value_pairs:
  {"name": "Ti2", "basis": "aug-cc-pvqz", "relativistic": 0.0, "relaxed": true, "calculator_version": "6.1.1", "xc": "PBE", "project": "tmfp06d", "frequency": 466.62316163612189, "time": 268518.718116045}


unique_id: ed20237971898b005ccfb11316433c88
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 349 characters]

key_value_pairs:
  {"name": "Zn2", "basis": "aug-cc-pvqz", "relativistic": 0.0, "relaxed": true, "calculator_version": "6.1.1", "xc": "PBE", "project": "tmfp06d", "frequency": 52.113595497427148, "time": 207234.00307488441}


unique_id: c6ca3f1b3f446ea6ed4ce79bb4f6fd88
username: dulak
data: null
key_value_pairs:
  {"project": "tmfp06d", "name": "Ca", "calculator_version": "6.1.1", "relativistic": 0.0, "basis": "aug-cc-pv5z", "xc": "PBE"}


unique_id: 7bea8367da9c5921c49b59fc6de9e348
username: dulak
data: null
key_value_pairs:
  {"project": "tmfp06d", "name": "Ca2", "calculator_version": "6.1.1", "relativistic": 0.0, "basis": "aug-cc-pv5z", "xc": "PBE"}


unique_id: 8a5dfb7c4066e5910a093abb202fd179
username: dulak
data: null
key_value_pairs:
  {"project": "tmfp06d", "name": "CaF", "calculator_version": "6.1.1", "relativistic": 0.0, "basis": "aug-cc-pv5z", "xc": "PBE"}


unique_id: 560acac8992d18bc33eba5034e29faba
username: dulak
data: null
key_value_pairs:
  {"project": "tmfp06d", "name": "CaH", "calculator_version": "6.1.1", "relativistic": 0.0, "basis": "aug-cc-pv5z", "xc": "PBE"}


unique_id: d00168c93cc226874b4b7751a6bf5abd
username: dulak
data: null
key_value_pairs:
  {"project": "tmfp06d", "name": "CaO", "calculator_version": "6.1.1", "relativistic": 0.0, "basis": "aug-cc-pv5z", "xc": "PBE"}


unique_id: abdc1f2a8eade2bc4ef65093fdf7b115
username: dulak
calculator: nwchem
data: null
calculator_parameters:
  {"tolerances": "tight", "basis": "aug-cc-pv5z", "geometry": "noautosym nocenter noautoz", "xc": "PBE", "direct": "noio", "raw": "set int:txs:limxmem 134217728\nmemory total 8000 Mb noverify\n", "basispar": "spherical", "grid": "nodisk", "maxiter": 777, "convergence": {"gradient": null, "energy": null, "damp": null, "lshift": 0.0, "density": null}}

key_value_pairs:
  {"name": "Cr", "basis": "aug-cc-pv5z", "relativistic": 0.0, "relaxed": false, "calculator_version": "6.1.1", "xc": "PBE", "project": "tmfp06d", "time": 6841.2095508575439}


unique_id: 580dbf8095d4e75d430e4c7fb41db6a6
username: dulak
calculator: nwchem
data: null
calculator_parameters:
  {"tolerances": "tight", "basis": "aug-cc-pv5z", "geometry": "noautosym nocenter noautoz", "xc": "PBE", "direct": "noio", "raw": "set int:txs:limxmem 134217728\nmemory total 8000 Mb noverify\n", "basispar": "spherical", "grid": "nodisk", "maxiter": 777, "convergence": {"gradient": null, "energy": null, "damp": null, "lshift": 0.0, "density": null}}

key_value_pairs:
  {"name": "Co", "basis": "aug-cc-pv5z", "relativistic": 0.0, "relaxed": false, "calculator_version": "6.1.1", "xc": "PBE", "project": "tmfp06d", "time": 34510.506390810013}


unique_id: 210a2210c0766aa431d26b84a39b5655
username: dulak
calculator: nwchem
data: null
calculator_parameters:
  {"tolerances": "tight", "basis": "aug-cc-pv5z", "geometry": "noautosym nocenter noautoz", "xc": "PBE", "direct": "noio", "raw": "set int:txs:limxmem 134217728\nmemory total 8000 Mb noverify\n", "basispar": "spherical", "grid": "nodisk", "maxiter": 777, "convergence": {"gradient": null, "energy": null, "damp": null, "lshift": 0.0, "density": null}}

key_value_pairs:
  {"name": "Cu", "basis": "aug-cc-pv5z", "relativistic": 0.0, "relaxed": false, "calculator_version": "6.1.1", "xc": "PBE", "project": "tmfp06d", "time": 7469.3692879676819}


unique_id: ff3f3443e67dc3f24cf175625ccc9183
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 349 characters]

key_value_pairs:
  {"name": "Fe", "basis": "aug-cc-pv5z", "relativistic": 0.0, "relaxed": false, "calculator_version": "6.1.1", "xc": "PBE", "project": "tmfp06d", "time": 28803.579065084457}


unique_id: 129c13a4d14106ff83d13fb1ed0c524c
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 349 characters]

key_value_pairs:
  {"name": "H", "basis": "aug-cc-pv5z", "relativistic": 0.0, "relaxed": false, "calculator_version": "6.1.1", "xc": "PBE", "project": "tmfp06d", "time": 3.5250661373138428}


unique_id: e71b018e1e8a109e7536431cfcae1cf1
username: dulak
data: null
key_value_pairs:
  {"project": "tmfp06d", "name": "K", "calculator_version": "6.1.1", "relativistic": 0.0, "basis": "aug-cc-pv5z", "xc": "PBE"}


unique_id: 6dd92005782c22f521cbce941d69c976
username: dulak
data: null
key_value_pairs:
  {"project": "tmfp06d", "name": "K2", "calculator_version": "6.1.1", "relativistic": 0.0, "basis": "aug-cc-pv5z", "xc": "PBE"}


unique_id: 183d8b4062d0e695369772313bd70fea
username: dulak
data: null
key_value_pairs:
  {"project": "tmfp06d", "name": "C", "calculator_version": "6.1.1", "relativistic": 0.0, "basis": "aug-cc-pv5z", "xc": "PBE"}


unique_id: 54c4762c56f53449e20fbfeda5370432
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 349 characters]

key_value_pairs:
  {"name": "CoH", "basis": "aug-cc-pv5z", "relativistic": 0.0, "relaxed": false, "calculator_version": "6.1.1", "xc": "PBE", "project": "tmfp06d", "frequency": 1825.0383529291807, "time": 225577.87051177025}


unique_id: e3ddba859e4fe80256f41a3f96185da2
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 349 characters]

key_value_pairs:
  {"name": "CrH", "basis": "aug-cc-pv5z", "relativistic": 0.0, "relaxed": false, "calculator_version": "6.1.1", "xc": "PBE", "project": "tmfp06d", "frequency": 1594.8205974235489, "time": 212839.01298809052}


unique_id: c61bdaa526ed7b5bb7e63ccfdd19277d
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 349 characters]

key_value_pairs:
  {"name": "CuH", "basis": "aug-cc-pv5z", "relativistic": 0.0, "relaxed": false, "calculator_version": "6.1.1", "xc": "PBE", "project": "tmfp06d", "frequency": 2005.5419840650397, "time": 188297.6818728447}


unique_id: 1c7feaad4a09687451d2531a3c26b2cf
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 349 characters]

key_value_pairs:
  {"name": "CuF", "basis": "aug-cc-pv5z", "relativistic": 0.0, "relaxed": false, "calculator_version": "6.1.1", "xc": "PBE", "project": "tmfp06d", "frequency": 629.70802492452412, "time": 222022.90737891197}


unique_id: 6b1d35ae481c22a9130a240cf118c9b9
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 349 characters]

key_value_pairs:
  {"name": "FeH", "basis": "aug-cc-pv5z", "relativistic": 0.0, "relaxed": false, "calculator_version": "6.1.1", "xc": "PBE", "project": "tmfp06d", "frequency": 1608.5494584740516, "time": 209781.05634117126}


unique_id: 21d8c1109a0dbf668ac10241a3f20472
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 349 characters]

key_value_pairs:
  {"name": "CrF", "basis": "aug-cc-pv5z", "relativistic": 0.0, "relaxed": false, "calculator_version": "6.1.1", "xc": "PBE", "project": "tmfp06d", "frequency": 651.26143767308372, "time": 331571.62371492386}


unique_id: 94a04b8b43561f33d0c081597ab4bf93
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 349 characters]

key_value_pairs:
  {"name": "CrO", "basis": "aug-cc-pv5z", "relativistic": 0.0, "relaxed": false, "calculator_version": "6.1.1", "xc": "PBE", "project": "tmfp06d", "frequency": 899.79104501199572, "time": 359409.44189405441}


unique_id: df768c16379410276e0b3fc83e9973a1
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 349 characters]

key_value_pairs:
  {"name": "FeF", "basis": "aug-cc-pv5z", "relativistic": 0.0, "relaxed": false, "calculator_version": "6.1.1", "xc": "PBE", "project": "tmfp06d", "frequency": 646.59904464357169, "time": 305891.50531601906}


unique_id: b93ba2c95101336e3d35f43cfaf74e8f
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 349 characters]

key_value_pairs:
  {"name": "CuO", "basis": "aug-cc-pv5z", "relativistic": 0.0, "relaxed": false, "calculator_version": "6.1.1", "xc": "PBE", "project": "tmfp06d", "frequency": 657.20288949369285, "time": 382931.95938587189}


unique_id: c73add14f46c29d1f72a5ee5ebe95c98
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 349 characters]

key_value_pairs:
  {"name": "CuH", "basis": "aug-cc-pv5z", "relativistic": 0.0, "relaxed": true, "calculator_version": "6.1.1", "xc": "PBE", "project": "tmfp06d", "frequency": 1968.6618279456595, "time": 202671.04730296135}


unique_id: 4fb4843a2a8dfa6b10c72ae1debc251c
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 349 characters]

key_value_pairs:
  {"name": "F", "basis": "aug-cc-pv5z", "relativistic": 0.0, "relaxed": false, "calculator_version": "6.1.1", "xc": "PBE", "project": "tmfp06d", "time": 17.647325992584229}


unique_id: dc9a1e289502b1faf8dbc7e351f12793
username: dulak
data: null
key_value_pairs:
  {"project": "tmfp06d", "name": "KF", "calculator_version": "6.1.1", "relativistic": 0.0, "basis": "aug-cc-pv5z", "xc": "PBE"}


unique_id: 7e32755994a76e3a555d435435179104
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 349 characters]

key_value_pairs:
  {"name": "CrH", "basis": "aug-cc-pv5z", "relativistic": 0.0, "relaxed": true, "calculator_version": "6.1.1", "xc": "PBE", "project": "tmfp06d", "frequency": 1607.1871566550356, "time": 229137.95899605751}


unique_id: 8e168c64f509b177da1ef8bf736d7b9b
username: dulak
data: null
key_value_pairs:
  {"project": "tmfp06d", "name": "KH", "calculator_version": "6.1.1", "relativistic": 0.0, "basis": "aug-cc-pv5z", "xc": "PBE"}


unique_id: 6442e3e056f6ab5bfa37a19b2e6aaf31
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 349 characters]

key_value_pairs:
  {"name": "CrN", "basis": "aug-cc-pv5z", "relativistic": 0.0, "relaxed": false, "calculator_version": "6.1.1", "xc": "PBE", "project": "tmfp06d", "frequency": 951.95452989060857, "time": 451734.2973139286}


unique_id: 4c5f5f1ae54ee8b2d3d2c8c51ca3648d
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 349 characters]

key_value_pairs:
  {"name": "CoH", "basis": "aug-cc-pv5z", "relativistic": 0.0, "relaxed": true, "calculator_version": "6.1.1", "xc": "PBE", "project": "tmfp06d", "frequency": 1874.8082541791368, "time": 263156.57894897461}


unique_id: fe29924bb19544935a8d25bd7ed6c6a1
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 349 characters]

key_value_pairs:
  {"name": "Mn", "basis": "aug-cc-pv5z", "relativistic": 0.0, "relaxed": false, "calculator_version": "6.1.1", "xc": "PBE", "project": "tmfp06d", "time": 10766.716257810593}


unique_id: b03a40d629a5d906b27336cd8276ca1c
username: dulak
data: null
key_value_pairs:
  {"project": "tmfp06d", "name": "Mn2", "calculator_version": "6.1.1", "relativistic": 0.0, "basis": "aug-cc-pv5z", "xc": "PBE"}


unique_id: b640bbff7d3672d35db2175110dabef5
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 349 characters]

key_value_pairs:
  {"name": "CuF", "basis": "aug-cc-pv5z", "relativistic": 0.0, "relaxed": true, "calculator_version": "6.1.1", "xc": "PBE", "project": "tmfp06d", "frequency": 604.45359172431245, "time": 253705.13078308105}


unique_id: f7920ed91c18c4c11923f4cb56a71610
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 349 characters]

key_value_pairs:
  {"name": "FeO", "basis": "aug-cc-pv5z", "relativistic": 0.0, "relaxed": false, "calculator_version": "6.1.1", "xc": "PBE", "project": "tmfp06d", "frequency": 884.76118526534606, "time": 403511.98750400543}


unique_id: f4be35c47071b3e2fa81751932ea0293
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 349 characters]

key_value_pairs:
  {"name": "CoO", "basis": "aug-cc-pv5z", "relativistic": 0.0, "relaxed": false, "calculator_version": "6.1.1", "xc": "PBE", "project": "tmfp06d", "frequency": 807.89439894587861, "time": 532024.07311916351}


unique_id: 2151b3a6ad411c7f48c96252861fb4a5
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 349 characters]

key_value_pairs:
  {"name": "FeH", "basis": "aug-cc-pv5z", "relativistic": 0.0, "relaxed": true, "calculator_version": "6.1.1", "xc": "PBE", "project": "tmfp06d", "frequency": 1840.7194889252601, "time": 256250.1798479557}


unique_id: b0364a090167365f0778e60da2f8fdad
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 349 characters]

key_value_pairs:
  {"name": "CrF", "basis": "aug-cc-pv5z", "relativistic": 0.0, "relaxed": true, "calculator_version": "6.1.1", "xc": "PBE", "project": "tmfp06d", "frequency": 640.64328444333592, "time": 356021.55272293091}


unique_id: dbf03c2c308e7a79aada47ba37db9b59
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 349 characters]

key_value_pairs:
  {"name": "N", "basis": "aug-cc-pv5z", "relativistic": 0.0, "relaxed": false, "calculator_version": "6.1.1", "xc": "PBE", "project": "tmfp06d", "time": 7.9837379455566406}


unique_id: fc38542a0f04020f7d37e39f99c701a3
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 349 characters]

key_value_pairs:
  {"name": "FeF", "basis": "aug-cc-pv5z", "relativistic": 0.0, "relaxed": true, "calculator_version": "6.1.1", "xc": "PBE", "project": "tmfp06d", "frequency": 642.51501537103036, "time": 312582.58929491043}


unique_id: 1b98c67f4df1f66b6cf7d4bda2843fbf
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 349 characters]

key_value_pairs:
  {"name": "Ni", "basis": "aug-cc-pv5z", "relativistic": 0.0, "relaxed": false, "calculator_version": "6.1.1", "xc": "PBE", "project": "tmfp06d", "time": 18451.301620006561}


unique_id: 9196083d880d703b80a342b25e7d954b
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 349 characters]

key_value_pairs:
  {"name": "MnH", "basis": "aug-cc-pv5z", "relativistic": 0.0, "relaxed": false, "calculator_version": "6.1.1", "xc": "PBE", "project": "tmfp06d", "frequency": 1498.0592147211009, "time": 218349.54170608521}


unique_id: 4cbb95be66bffbc903134ebdb3d1db45
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 349 characters]

key_value_pairs:
  {"name": "CrO", "basis": "aug-cc-pv5z", "relativistic": 0.0, "relaxed": true, "calculator_version": "6.1.1", "xc": "PBE", "project": "tmfp06d", "frequency": 918.99228644765071, "time": 364862.60076189041}


unique_id: 88fc261962f21fd804c8a7d7257c55b2
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 349 characters]

key_value_pairs:
  {"name": "CuO", "basis": "aug-cc-pv5z", "relativistic": 0.0, "relaxed": true, "calculator_version": "6.1.1", "xc": "PBE", "project": "tmfp06d", "frequency": 670.23313712715094, "time": 404457.71253180504}


unique_id: f9c2301812ccbb7ff1048a02565ee277
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 349 characters]

key_value_pairs:
  {"name": "O", "basis": "aug-cc-pv5z", "relativistic": 0.0, "relaxed": false, "calculator_version": "6.1.1", "xc": "PBE", "project": "tmfp06d", "time": 17.969303846359253}


unique_id: b4d71512e69ff2cab6bb6475a1047e83
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 349 characters]

key_value_pairs:
  {"name": "Sc", "basis": "aug-cc-pv5z", "relativistic": 0.0, "relaxed": false, "calculator_version": "6.1.1", "xc": "PBE", "project": "tmfp06d", "time": 10802.563936948776}


unique_id: e60eb24a782ab734b5d42300f177b2d8
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 349 characters]

key_value_pairs:
  {"name": "FeO", "basis": "aug-cc-pv5z", "relativistic": 0.0, "relaxed": true, "calculator_version": "6.1.1", "xc": "PBE", "project": "tmfp06d", "frequency": 912.56139613186588, "time": 406531.39312887192}


unique_id: cf9eec1aac7d7f2af013f4055b80120c
username: dulak
data: null
key_value_pairs:
  {"project": "tmfp06d", "name": "ScF", "calculator_version": "6.1.1", "relativistic": 0.0, "basis": "aug-cc-pv5z", "xc": "PBE"}


unique_id: 8fdde0c50deced1e376c4b029456e883
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 349 characters]

key_value_pairs:
  {"name": "MnO", "basis": "aug-cc-pv5z", "relativistic": 0.0, "relaxed": false, "calculator_version": "6.1.1", "xc": "PBE", "project": "tmfp06d", "frequency": 855.90731731704898, "time": 349968.45464801788}


unique_id: 5d8944dcef5e7d25969e28cbcc2361f4
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 349 characters]

key_value_pairs:
  {"name": "CrN", "basis": "aug-cc-pv5z", "relativistic": 0.0, "relaxed": true, "calculator_version": "6.1.1", "xc": "PBE", "project": "tmfp06d", "frequency": 1028.4543386592704, "time": 495952.43160891533}


unique_id: 17ec72bbd3ca724eb8dca8b136e7ed15
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 349 characters]

key_value_pairs:
  {"name": "MnH", "basis": "aug-cc-pv5z", "relativistic": 0.0, "relaxed": true, "calculator_version": "6.1.1", "xc": "PBE", "project": "tmfp06d", "frequency": 1532.3249763120161, "time": 246123.81754302979}


unique_id: 929f2827018cbd7e5dc32a762ef027fc
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 349 characters]

key_value_pairs:
  {"name": "NiH", "basis": "aug-cc-pv5z", "relativistic": 0.0, "relaxed": false, "calculator_version": "6.1.1", "xc": "PBE", "project": "tmfp06d", "frequency": 1976.7256101739649, "time": 289535.66600704193}


unique_id: 89d10eb94cbe73fe666e251ccbda4414
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 349 characters]

key_value_pairs:
  {"name": "CoO", "basis": "aug-cc-pv5z", "relativistic": 0.0, "relaxed": true, "calculator_version": "6.1.1", "xc": "PBE", "project": "tmfp06d", "frequency": 826.80036593265743, "time": 567167.60066795349}


unique_id: 6307d3f440b4cab2d45a7053c00d8f23
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 349 characters]

key_value_pairs:
  {"name": "ScH", "basis": "aug-cc-pv5z", "relativistic": 0.0, "relaxed": false, "calculator_version": "6.1.1", "xc": "PBE", "project": "tmfp06d", "frequency": 1523.0970737154519, "time": 206689.63374900818}


unique_id: f5fa1d47c045a9ddb234e174673d31af
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 349 characters]

key_value_pairs:
  {"name": "NiO", "basis": "aug-cc-pv5z", "relativistic": 0.0, "relaxed": false, "calculator_version": "6.1.1", "xc": "PBE", "project": "tmfp06d", "frequency": 848.16967199644284, "time": 434894.62421298027}


unique_id: 36e712d7daa88cce412c86b3332aa16e
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 349 characters]

key_value_pairs:
  {"name": "Cu2", "basis": "aug-cc-pv5z", "relativistic": 0.0, "relaxed": false, "calculator_version": "6.1.1", "xc": "PBE", "project": "tmfp06d", "frequency": 272.27717889441436, "time": 1245589.0124979019}


unique_id: f8c3a4af0820628d6d9b251985d48e44
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 349 characters]

key_value_pairs:
  {"name": "MnO", "basis": "aug-cc-pv5z", "relativistic": 0.0, "relaxed": true, "calculator_version": "6.1.1", "xc": "PBE", "project": "tmfp06d", "frequency": 903.15705859160767, "time": 377308.39432311058}


unique_id: fb352c34818bef73b786649d45a5a4df
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 349 characters]

key_value_pairs:
  {"name": "NiH", "basis": "aug-cc-pv5z", "relativistic": 0.0, "relaxed": true, "calculator_version": "6.1.1", "xc": "PBE", "project": "tmfp06d", "frequency": 1986.5171690347577, "time": 311426.47979187965}


unique_id: a023fcae876eaaef9037bf30f7d3a89b
username: dulak
data: null
key_value_pairs:
  {"project": "tmfp06d", "name": "Ti2", "calculator_version": "6.1.1", "relativistic": 0.0, "basis": "aug-cc-pv5z", "xc": "PBE"}


unique_id: bc7bbffa71df7f65196c02deead6e0f9
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 349 characters]

key_value_pairs:
  {"name": "Ti", "basis": "aug-cc-pv5z", "relativistic": 0.0, "relaxed": false, "calculator_version": "6.1.1", "xc": "PBE", "project": "tmfp06d", "time": 36449.578162908554}


unique_id: 176902df7eb15ff0d964b051307f5a04
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 349 characters]

key_value_pairs:
  {"name": "ScH", "basis": "aug-cc-pv5z", "relativistic": 0.0, "relaxed": true, "calculator_version": "6.1.1", "xc": "PBE", "project": "tmfp06d", "frequency": 1581.1274274035818, "time": 237588.62075805664}


unique_id: 2500b3bccda95dc80d886ccce4da673d
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 349 characters]

key_value_pairs:
  {"name": "Co2", "basis": "aug-cc-pv5z", "relativistic": 0.0, "relaxed": false, "calculator_version": "6.1.1", "xc": "PBE", "project": "tmfp06d", "frequency": 380.70810581670281, "time": 1456544.3447439671}


unique_id: 80488dc2fb41555d3080956fc52a6c84
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 349 characters]

key_value_pairs:
  {"name": "NiO", "basis": "aug-cc-pv5z", "relativistic": 0.0, "relaxed": true, "calculator_version": "6.1.1", "xc": "PBE", "project": "tmfp06d", "frequency": 841.32311125129729, "time": 467136.63640594482}


unique_id: 2c2f5dad4dc90bd39140603b3e312074
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 349 characters]

key_value_pairs:
  {"name": "ScO", "basis": "aug-cc-pv5z", "relativistic": 0.0, "relaxed": false, "calculator_version": "6.1.1", "xc": "PBE", "project": "tmfp06d", "frequency": 961.20324348796157, "time": 541595.53348207474}


unique_id: e201cf06fbca2c271460d56ba77b374b
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 349 characters]

key_value_pairs:
  {"name": "Fe2", "basis": "aug-cc-pv5z", "relativistic": 0.0, "relaxed": false, "calculator_version": "6.1.1", "xc": "PBE", "project": "tmfp06d", "frequency": 385.0369886951338, "time": 1584292.4733700752}


unique_id: ef79173d10d35e0305711b4c1a65b3d3
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 349 characters]

key_value_pairs:
  {"name": "Cr2", "basis": "aug-cc-pv5z", "relativistic": 0.0, "relaxed": false, "calculator_version": "6.1.1", "xc": "PBE", "project": "tmfp06d", "frequency": 588.97640889013519, "time": 1669009.6274430752}


unique_id: 5a526da9faafc5bc418f5bedba7ce491
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 349 characters]

key_value_pairs:
  {"name": "ScN", "basis": "aug-cc-pv5z", "relativistic": 0.0, "relaxed": false, "calculator_version": "6.1.1", "xc": "PBE", "project": "tmfp06d", "frequency": 881.24336289495818, "time": 712910.32808279991}


unique_id: d27aa1ea980e4a6094634a90e49b3bd6
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 349 characters]

key_value_pairs:
  {"name": "TiH", "basis": "aug-cc-pv5z", "relativistic": 0.0, "relaxed": false, "calculator_version": "6.1.1", "xc": "PBE", "project": "tmfp06d", "frequency": 1413.772881779438, "time": 541555.74190211296}


unique_id: ef25bbb4655ea26308134de5344102b9
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 349 characters]

key_value_pairs:
  {"name": "TiF", "basis": "aug-cc-pv5z", "relativistic": 0.0, "relaxed": false, "calculator_version": "6.1.1", "xc": "PBE", "project": "tmfp06d", "frequency": 590.64568647315423, "time": 710388.08122301102}


unique_id: 75b8f6a3f32885971759e13802987f49
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 349 characters]

key_value_pairs:
  {"name": "ScO", "basis": "aug-cc-pv5z", "relativistic": 0.0, "relaxed": true, "calculator_version": "6.1.1", "xc": "PBE", "project": "tmfp06d", "frequency": 973.75811684135931, "time": 579367.39733505249}


unique_id: d7e24ff37338479475b27bffdfcdb553
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 349 characters]

key_value_pairs:
  {"name": "TiN", "basis": "aug-cc-pv5z", "relativistic": 0.0, "relaxed": false, "calculator_version": "6.1.1", "xc": "PBE", "project": "tmfp06d", "frequency": 1090.639175538385, "time": 647036.19423389435}


unique_id: 2c6d138a3093ebcfd7eb319ad0e61ac0
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 349 characters]

key_value_pairs:
  {"name": "ScN", "basis": "aug-cc-pv5z", "relativistic": 0.0, "relaxed": true, "calculator_version": "6.1.1", "xc": "PBE", "project": "tmfp06d", "frequency": 921.58863054524284, "time": 768199.20785903931}


unique_id: 7df81dfe23f6a869716919110be81250
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 349 characters]

key_value_pairs:
  {"name": "V", "basis": "aug-cc-pv5z", "relativistic": 0.0, "relaxed": false, "calculator_version": "6.1.1", "xc": "PBE", "project": "tmfp06d", "time": 12816.517426013947}


unique_id: 33225e699bf61d3198edd819b916e294
username: dulak
data: null
key_value_pairs:
  {"project": "tmfp06d", "name": "V2", "calculator_version": "6.1.1", "relativistic": 0.0, "basis": "aug-cc-pv5z", "xc": "PBE"}


unique_id: 8120ec89ff52e3500e415a2da2b44965
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 349 characters]

key_value_pairs:
  {"name": "Ni2", "basis": "aug-cc-pv5z", "relativistic": 0.0, "relaxed": false, "calculator_version": "6.1.1", "xc": "PBE", "project": "tmfp06d", "frequency": 294.07866916908335, "time": 1801458.0991208553}


unique_id: 3eb7a46717734879e434d22e769bd9f7
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 349 characters]

key_value_pairs:
  {"name": "Cu2", "basis": "aug-cc-pv5z", "relativistic": 0.0, "relaxed": true, "calculator_version": "6.1.1", "xc": "PBE", "project": "tmfp06d", "frequency": 255.08586799312403, "time": 1322757.5738008022}


unique_id: 93aa0f4bfe9e768b6eac65fd8f7f7a3f
username: dulak
data: null
key_value_pairs:
  {"project": "tmfp06d", "name": "VN", "calculator_version": "6.1.1", "relativistic": 0.0, "basis": "aug-cc-pv5z", "xc": "PBE"}


unique_id: 7992422eceeab7b17a8a9b566d6410a6
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 349 characters]

key_value_pairs:
  {"name": "Sc2", "basis": "aug-cc-pv5z", "relativistic": 0.0, "relaxed": false, "calculator_version": "6.1.1", "xc": "PBE", "project": "tmfp06d", "frequency": 208.19245727269549, "time": 1757075.4368879795}


unique_id: 7f7242cce4170d1256b55c207da71ace
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 349 characters]

key_value_pairs:
  {"name": "TiH", "basis": "aug-cc-pv5z", "relativistic": 0.0, "relaxed": true, "calculator_version": "6.1.1", "xc": "PBE", "project": "tmfp06d", "frequency": 1537.8689964793991, "time": 887499.57121515274}


unique_id: d463014a429e88cfce711282e1ae2fb1
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 349 characters]

key_value_pairs:
  {"name": "TiF", "basis": "aug-cc-pv5z", "relativistic": 0.0, "relaxed": true, "calculator_version": "6.1.1", "xc": "PBE", "project": "tmfp06d", "frequency": 693.95942826387125, "time": 791136.05000901222}


unique_id: 5b180a733547fdbbf50e71042ebe0684
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 349 characters]

key_value_pairs:
  {"name": "Zn", "basis": "aug-cc-pv5z", "relativistic": 0.0, "relaxed": false, "calculator_version": "6.1.1", "xc": "PBE", "project": "tmfp06d", "time": 10161.054250001907}


unique_id: 17dbe8a17cd5cea71d6f864bea71837a
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 349 characters]

key_value_pairs:
  {"name": "TiO", "basis": "aug-cc-pv5z", "relativistic": 0.0, "relaxed": false, "calculator_version": "6.1.1", "xc": "PBE", "project": "tmfp06d", "frequency": 1004.3460762602186, "time": 750200.60996699333}


unique_id: 38dd55c79a0a9e0042fe883e34f00c99
username: dulak
calculator: nwchem
data: null
calculator_parameters:
  {"tolerances": "tight", "basis": "aug-cc-pv5z", "geometry": "noautosym nocenter noautoz", "xc": "PBE", "direct": "noio", "raw": "set int:txs:limxmem 20485760208\nmemory total 20000 Mb noverify\n", "basispar": "spherical", "grid": "nodisk", "maxiter": 777, "convergence": {"gradient": null, "energy": null, "damp": null, "lshift": 0.0, "density": null}}

key_value_pairs:
  {"name": "VO", "basis": "aug-cc-pv5z", "relativistic": 0.0, "relaxed": false, "calculator_version": "6.1.1", "xc": "PBE", "project": "tmfp06d", "frequency": 1007.0034588325402, "time": 209384.00128412247}


unique_id: 6d2b68c1ef8575a674a00ebbbfb5a3c3
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 349 characters]

key_value_pairs:
  {"name": "TiN", "basis": "aug-cc-pv5z", "relativistic": 0.0, "relaxed": true, "calculator_version": "6.1.1", "xc": "PBE", "project": "tmfp06d", "frequency": 1079.5133985974803, "time": 715087.12082219124}


unique_id: d63b476f0ff8141e8c6085a689a09fcf
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 349 characters]

key_value_pairs:
  {"name": "Co2", "basis": "aug-cc-pv5z", "relativistic": 0.0, "relaxed": true, "calculator_version": "6.1.1", "xc": "PBE", "project": "tmfp06d", "frequency": 389.48807850520285, "time": 1684950.8828220367}


unique_id: 3c2b3ff00678042e0fea5c6aae8c5299
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 349 characters]

key_value_pairs:
  {"name": "VN", "basis": "aug-cc-pv5z", "relativistic": 0.0, "relaxed": false, "calculator_version": "6.1.1", "xc": "PBE", "project": "tmfp06d", "frequency": 1034.1012034841176, "time": 557738.0331029892}


unique_id: 42677d07e93ad8b182b1371da7b0c60e
username: dulak
calculator: nwchem
data: null
calculator_parameters:
  {"tolerances": "tight", "basis": "aug-cc-pv5z", "geometry": "noautosym nocenter noautoz", "xc": "PBE", "direct": "noio", "raw": "set int:txs:limxmem 20485760208\nmemory total 20000 Mb noverify\n", "basispar": "spherical", "grid": "nodisk", "maxiter": 777, "convergence": {"gradient": null, "energy": null, "damp": null, "lshift": 0.0, "density": null}}

key_value_pairs:
  {"name": "VO", "basis": "aug-cc-pv5z", "relativistic": 0.0, "relaxed": true, "calculator_version": "6.1.1", "xc": "PBE", "project": "tmfp06d", "frequency": 1019.8096666344908, "time": 224919.33652305603}


unique_id: 1e302d35cd55235de06798c52f63b55f
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 349 characters]

key_value_pairs:
  {"name": "Zn2", "basis": "aug-cc-pv5z", "relativistic": 0.0, "relaxed": false, "calculator_version": "6.1.1", "xc": "PBE", "project": "tmfp06d", "frequency": 238.1419673219394, "time": 641659.56832814217}


unique_id: f9ef067b0ca04f358b83594c9f5a0e1f
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 349 characters]

key_value_pairs:
  {"name": "Fe2", "basis": "aug-cc-pv5z", "relativistic": 0.0, "relaxed": true, "calculator_version": "6.1.1", "xc": "PBE", "project": "tmfp06d", "frequency": 400.73056753454074, "time": 1823434.5842249393}


unique_id: 4fccb2b5c8f70e82f893646e3d32de60
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 349 characters]

key_value_pairs:
  {"name": "Ti2", "basis": "aug-cc-pv5z", "relativistic": 0.0, "relaxed": false, "calculator_version": "6.1.1", "xc": "PBE", "project": "tmfp06d", "frequency": 397.01232013292832, "time": 2227845.6734828949}


unique_id: ac95de8acd8e93cb00fdceb3abc4510b
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 349 characters]

key_value_pairs:
  {"name": "Cr2", "basis": "aug-cc-pv5z", "relativistic": 0.0, "relaxed": true, "calculator_version": "6.1.1", "xc": "PBE", "project": "tmfp06d", "frequency": 814.11224988627282, "time": 2105431.9689109325}


unique_id: e60ee77ec4a43de6f12e088074efdb78
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 349 characters]

key_value_pairs:
  {"name": "TiO", "basis": "aug-cc-pv5z", "relativistic": 0.0, "relaxed": true, "calculator_version": "6.1.1", "xc": "PBE", "project": "tmfp06d", "frequency": 1015.4732945175975, "time": 806909.85000491142}


unique_id: 9da600224271de83da8b98ddd0d2ee3f
username: dulak
data: null
key_value_pairs:
  {"project": "tmfp06d", "name": "ZnO", "calculator_version": "6.1.1", "relativistic": 0.0, "basis": "aug-cc-pv5z", "xc": "PBE"}


unique_id: 9d8bfffdedff4f51d2fa73a4123bc140
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 349 characters]

key_value_pairs:
  {"name": "Ni2", "basis": "aug-cc-pv5z", "relativistic": 0.0, "relaxed": true, "calculator_version": "6.1.1", "xc": "PBE", "project": "tmfp06d", "frequency": 309.99255477383582, "time": 1712669.5286018848}


unique_id: 1ba108fa6b7c51d14d0ca1317269f770
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 349 characters]

key_value_pairs:
  {"name": "V2", "basis": "aug-cc-pv5z", "relativistic": 0.0, "relaxed": false, "calculator_version": "6.1.1", "xc": "PBE", "project": "tmfp06d", "frequency": 587.98746459321751, "time": 1997725.2751040459}


unique_id: 6c5d06b558cc840d1bc62b706f466ad1
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 349 characters]

key_value_pairs:
  {"name": "Zn2", "basis": "aug-cc-pv5z", "relativistic": 0.0, "relaxed": true, "calculator_version": "6.1.1", "xc": "PBE", "project": "tmfp06d", "frequency": 52.522335841196508, "time": 1129397.0940101147}


unique_id: a88c2538dfc1b06e8a585342f825e584
username: dulak
calculator: nwchem
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 349 characters]

key_value_pairs:
  {"name": "Sc2", "basis": "aug-cc-pv5z", "relativistic": 0.0, "relaxed": true, "calculator_version": "6.1.1", "xc": "PBE", "project": "tmfp06d", "frequency": 245.5208528415599, "time": 2159069.8841969967}


unique_id: e8eea5e64b86ba32d48c14d0545cb202
username: dulak
calculator: aims
data: null
calculator_parameters:
  {"charge_mix_param": 0.001, "sc_iter_limit": 6000, "KS_method": "elpa", "relativistic": "none", "xc": "pbe", "override_illconditioning": true, "species_dir": "/home/niflheim2/dulak/projects/dcdft/aims/tight", "sc_accuracy_eev": 1.0000000000000001e-05, "sc_accuracy_rho": 1.0000000000000001e-05, "sc_accuracy_forces": 0.001, "occupation_type": ["gaussian", 1.0000000000000001e-05], "spin": "collinear", "basis_threshold": 5.0000000000000002e-05, "override_relativity": true}

key_value_pairs:
  {"name": "H", "basis": "tight", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "xc": "PBE", "project": "tmfp06d", "time": 2.3188118934631348}


unique_id: 3f22f531d9f3bc2aa88cc9391e0bd360
username: dulak
calculator: aims
data: null
calculator_parameters:
  {"charge_mix_param": 0.001, "sc_iter_limit": 6000, "KS_method": "elpa", "relativistic": "none", "xc": "pbe", "override_illconditioning": true, "species_dir": "/home/niflheim2/dulak/projects/dcdft/aims/tight", "sc_accuracy_eev": 1.0000000000000001e-05, "sc_accuracy_rho": 1.0000000000000001e-05, "sc_accuracy_forces": 0.001, "occupation_type": ["gaussian", 1.0000000000000001e-05], "spin": "collinear", "basis_threshold": 5.0000000000000002e-05, "override_relativity": true}

key_value_pairs:
  {"name": "N", "basis": "tight", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "xc": "PBE", "project": "tmfp06d", "time": 1.7701940536499023}


unique_id: 6037c9fdf7ab0aae50706033d6ca58d2
username: dulak
calculator: aims
data: null
calculator_parameters:
  {"charge_mix_param": 0.001, "sc_iter_limit": 6000, "KS_method": "elpa", "relativistic": "none", "xc": "pbe", "override_illconditioning": true, "species_dir": "/home/niflheim2/dulak/projects/dcdft/aims/tight", "sc_accuracy_eev": 1.0000000000000001e-05, "sc_accuracy_rho": 1.0000000000000001e-05, "sc_accuracy_forces": 0.001, "occupation_type": ["gaussian", 1.0000000000000001e-05], "spin": "collinear", "basis_threshold": 5.0000000000000002e-05, "override_relativity": true}

key_value_pairs:
  {"name": "O", "basis": "tight", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "xc": "PBE", "project": "tmfp06d", "time": 12.050352096557617}


unique_id: 731f8bbb00653729b9f4d17e1e48c8e9
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 473 characters]

key_value_pairs:
  {"name": "F", "basis": "tight", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "xc": "PBE", "project": "tmfp06d", "time": 83.031735181808472}


unique_id: 58f066a8d60d13005f5b276a26089cce
username: dulak
calculator: aims
data: null
calculator_parameters:
  {"charge_mix_param": 0.001, "sc_iter_limit": 6000, "KS_method": "elpa", "relativistic": "none", "xc": "pbe", "override_illconditioning": true, "species_dir": "/home/niflheim2/dulak/projects/dcdft/aims/tight", "sc_accuracy_eev": 1.0000000000000001e-05, "sc_accuracy_rho": 1.0000000000000001e-05, "sc_accuracy_forces": 0.001, "occupation_type": ["gaussian", 1.0000000000000001e-05], "basis_threshold": 5.0000000000000002e-05, "override_relativity": true}

key_value_pairs:
  {"name": "Ca", "basis": "tight", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "xc": "PBE", "project": "tmfp06d", "time": 1.7381198406219482}


unique_id: 4e3f40de00037499757091a6c4d34943
username: dulak
calculator: aims
data: null
calculator_parameters:
  {"charge_mix_param": 0.001, "sc_iter_limit": 6000, "KS_method": "elpa", "relativistic": "none", "xc": "pbe", "override_illconditioning": true, "species_dir": "/home/niflheim2/dulak/projects/dcdft/aims/tight", "sc_accuracy_eev": 1.0000000000000001e-05, "sc_accuracy_rho": 1.0000000000000001e-05, "sc_accuracy_forces": 0.001, "occupation_type": ["gaussian", 1.0000000000000001e-05], "basis_threshold": 5.0000000000000002e-05, "override_relativity": true}

key_value_pairs:
  {"name": "Ca2", "basis": "tight", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "xc": "PBE", "project": "tmfp06d", "frequency": 70.753153924614367, "time": 42.890438079833984}


unique_id: 155dd2f803d5f28b1dd319cba7ab8826
username: dulak
calculator: aims
data: null
calculator_parameters:
  {"charge_mix_param": 0.001, "sc_iter_limit": 6000, "KS_method": "elpa", "relativistic": "none", "xc": "pbe", "override_illconditioning": true, "species_dir": "/home/niflheim2/dulak/projects/dcdft/aims/tight", "sc_accuracy_eev": 1.0000000000000001e-05, "sc_accuracy_rho": 1.0000000000000001e-05, "sc_accuracy_forces": 0.001, "occupation_type": ["gaussian", 1.0000000000000001e-05], "basis_threshold": 5.0000000000000002e-05, "override_relativity": true}

key_value_pairs:
  {"name": "Ca2", "basis": "tight", "relativistic": 0.0, "relaxed": true, "calculator_version": 81213.0, "xc": "PBE", "project": "tmfp06d", "frequency": 90.238426933440536, "time": 52.94215989112854}


unique_id: e79c5c3a5906b2f071bee65019cda7a5
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 473 characters]

key_value_pairs:
  {"name": "CaF", "basis": "tight", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "xc": "PBE", "project": "tmfp06d", "frequency": 557.97051569908615, "time": 672.04573583602905}


unique_id: de1229fce3fb724b5cbb0d663fd04fb0
username: dulak
calculator: aims
data: null
calculator_parameters:
  {"charge_mix_param": 0.001, "sc_iter_limit": 9000, "KS_method": "elpa", "relativistic": "none", "xc": "pbe", "override_illconditioning": true, "species_dir": "/home/niflheim2/dulak/projects/dcdft/aims/tight", "sc_accuracy_eev": 1.0000000000000001e-05, "sc_accuracy_rho": 1.0000000000000001e-05, "sc_accuracy_forces": 0.001, "occupation_type": ["gaussian", 1.0000000000000001e-05], "spin": "collinear", "basis_threshold": 5.0000000000000002e-05, "override_relativity": true}

key_value_pairs:
  {"name": "CaH", "basis": "tight", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "xc": "PBE", "project": "tmfp06d", "frequency": 1230.6935526136053, "time": 50.649200916290283}


unique_id: 88b4d914700c65bf5685fbcc88aee68d
username: dulak
calculator: aims
data: null
calculator_parameters:
  {"charge_mix_param": 0.001, "sc_iter_limit": 9000, "KS_method": "elpa", "relativistic": "none", "xc": "pbe", "override_illconditioning": true, "species_dir": "/home/niflheim2/dulak/projects/dcdft/aims/tight", "sc_accuracy_eev": 1.0000000000000001e-05, "sc_accuracy_rho": 1.0000000000000001e-05, "sc_accuracy_forces": 0.001, "occupation_type": ["gaussian", 1.0000000000000001e-05], "spin": "collinear", "basis_threshold": 5.0000000000000002e-05, "override_relativity": true}

key_value_pairs:
  {"name": "CaH", "basis": "tight", "relativistic": 0.0, "relaxed": true, "calculator_version": 81213.0, "xc": "PBE", "project": "tmfp06d", "frequency": 1287.0402420310895, "time": 58.593585968017578}


unique_id: a070e617a86126ca42aa49ec059d025a
username: dulak
calculator: aims
data: null
calculator_parameters:
  {"charge_mix_param": 0.001, "sc_iter_limit": 9000, "KS_method": "elpa", "relativistic": "none", "xc": "pbe", "override_illconditioning": true, "species_dir": "/home/niflheim2/dulak/projects/dcdft/aims/tight", "sc_accuracy_eev": 1.0000000000000001e-05, "sc_accuracy_rho": 1.0000000000000001e-05, "sc_accuracy_forces": 0.001, "occupation_type": ["gaussian", 1.0000000000000001e-05], "basis_threshold": 5.0000000000000002e-05, "override_relativity": true}

key_value_pairs:
  {"name": "CaO", "basis": "tight", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "xc": "PBE", "project": "tmfp06d", "frequency": 758.29185472643712, "time": 71.278167009353638}


unique_id: c008620344205988fbb5c2ca900d3f3c
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 473 characters]

key_value_pairs:
  {"name": "CaF", "basis": "tight", "relativistic": 0.0, "relaxed": true, "calculator_version": 81213.0, "xc": "PBE", "project": "tmfp06d", "frequency": 590.70225211321758, "time": 1265.2363290786743}


unique_id: efa5633aef4f5fddc69c3053eb76912d
username: dulak
calculator: aims
data: null
calculator_parameters:
  {"charge_mix_param": 0.001, "sc_iter_limit": 9000, "KS_method": "elpa", "relativistic": "none", "xc": "pbe", "override_illconditioning": true, "species_dir": "/home/niflheim2/dulak/projects/dcdft/aims/tight", "sc_accuracy_eev": 1.0000000000000001e-05, "sc_accuracy_rho": 1.0000000000000001e-05, "sc_accuracy_forces": 0.001, "occupation_type": ["gaussian", 1.0000000000000001e-05], "basis_threshold": 5.0000000000000002e-05, "override_relativity": true}

key_value_pairs:
  {"name": "CaO", "basis": "tight", "relativistic": 0.0, "relaxed": true, "calculator_version": 81213.0, "xc": "PBE", "project": "tmfp06d", "frequency": 760.82481461461873, "time": 82.813555002212524}


unique_id: 1170b30117a81b846661c566e3283930
username: dulak
calculator: aims
data: null
calculator_parameters:
  {"charge_mix_param": 0.001, "sc_iter_limit": 9000, "KS_method": "elpa", "relativistic": "none", "xc": "pbe", "override_illconditioning": true, "species_dir": "/home/niflheim2/dulak/projects/dcdft/aims/tight", "sc_accuracy_eev": 1.0000000000000001e-05, "sc_accuracy_rho": 1.0000000000000001e-05, "sc_accuracy_forces": 0.001, "occupation_type": ["gaussian", 1.0000000000000001e-05], "spin": "collinear", "basis_threshold": 5.0000000000000002e-05, "override_relativity": true}

key_value_pairs:
  {"name": "CoH", "basis": "tight", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "xc": "PBE", "project": "tmfp06d", "frequency": 1804.2057679463446, "time": 326.08939099311829}


unique_id: 73281d640c9332941cce0bac28c2af85
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 473 characters]

key_value_pairs:
  {"name": "CoH", "basis": "tight", "relativistic": 0.0, "relaxed": true, "calculator_version": 81213.0, "xc": "PBE", "project": "tmfp06d", "frequency": 1844.4513009497703, "time": 364.94541716575623}


unique_id: 5095711cc35a489d0caefa1e970145a5
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 473 characters]

key_value_pairs:
  {"name": "CoO", "basis": "tight", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "xc": "PBE", "project": "tmfp06d", "frequency": 874.15344133231292, "time": 1148.0004048347473}


unique_id: 79815342a032caabe20fed785cb69e86
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 473 characters]

key_value_pairs:
  {"name": "Cr", "basis": "tight", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "xc": "PBE", "project": "tmfp06d", "time": 2.9681808948516846}


unique_id: f49a6be8acdc97acacd528649c02ec65
username: dulak
calculator: aims
data: null
calculator_parameters:
  {"charge_mix_param": 0.001, "sc_iter_limit": 9000, "KS_method": "elpa", "relativistic": "none", "xc": "pbe", "override_illconditioning": true, "species_dir": "/home/niflheim2/dulak/projects/dcdft/aims/tight", "sc_accuracy_eev": 1.0000000000000001e-05, "sc_accuracy_rho": 1.0000000000000001e-05, "sc_accuracy_forces": 0.001, "occupation_type": ["gaussian", 1.0000000000000001e-05], "basis_threshold": 5.0000000000000002e-05, "override_relativity": true}

key_value_pairs:
  {"name": "Cr2", "basis": "tight", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "xc": "PBE", "project": "tmfp06d", "frequency": 598.74198502128138, "time": 63.210170030593872}


unique_id: 58808e9beec2c7cf7ac9fc0f3794a877
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 452 characters]

key_value_pairs:
  {"name": "Cr2", "basis": "tight", "relativistic": 0.0, "relaxed": true, "calculator_version": 81213.0, "xc": "PBE", "project": "tmfp06d", "frequency": 808.15400787099134, "time": 63.208012104034424}


unique_id: c952f0f0bbce354e7ec477768d5231d7
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 473 characters]

key_value_pairs:
  {"name": "CoO", "basis": "tight", "relativistic": 0.0, "relaxed": true, "calculator_version": 81213.0, "xc": "PBE", "project": "tmfp06d", "frequency": 888.39810168018823, "time": 1391.0245621204376}


unique_id: 2fd4c9037455ccd6c2aa69915aa703c9
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 473 characters]

key_value_pairs:
  {"name": "CrH", "basis": "tight", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "xc": "PBE", "project": "tmfp06d", "frequency": 1633.230103907812, "time": 51.531677961349487}


unique_id: f5235cefa89127b82f964afa7d125d86
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 473 characters]

key_value_pairs:
  {"name": "CrH", "basis": "tight", "relativistic": 0.0, "relaxed": true, "calculator_version": 81213.0, "xc": "PBE", "project": "tmfp06d", "frequency": 1639.1144763130599, "time": 55.894418954849243}


unique_id: 898172cb9ab22b7696d17a6ac013dc39
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 473 characters]

key_value_pairs:
  {"name": "CrN", "basis": "tight", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "xc": "PBE", "project": "tmfp06d", "frequency": 958.90278519576373, "time": 1594.0286989212036}


unique_id: 86897581857363786ea62731b0797cef
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 473 characters]

key_value_pairs:
  {"name": "CrN", "basis": "tight", "relativistic": 0.0, "relaxed": true, "calculator_version": 81213.0, "xc": "PBE", "project": "tmfp06d", "frequency": 1028.357324794838, "time": 2650.3882789611816}


unique_id: 9cb1cf9eb50399c2e2df487ee4795dd5
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 473 characters]

key_value_pairs:
  {"name": "Cu", "basis": "tight", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "xc": "PBE", "project": "tmfp06d", "time": 2.3005950450897217}


unique_id: a31505fe603acca35e3e962bdbbcfb23
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 452 characters]

key_value_pairs:
  {"name": "Cu2", "basis": "tight", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "xc": "PBE", "project": "tmfp06d", "frequency": 273.12146465327982, "time": 46.569406032562256}


unique_id: 6805fbbf31d78382952cc13bcc967a6c
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 452 characters]

key_value_pairs:
  {"name": "Cu2", "basis": "tight", "relativistic": 0.0, "relaxed": true, "calculator_version": 81213.0, "xc": "PBE", "project": "tmfp06d", "frequency": 254.69830129885099, "time": 54.122544050216675}


unique_id: 35c2dcb39e43cefdb78ae40dbdf14478
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 452 characters]

key_value_pairs:
  {"name": "CuF", "basis": "tight", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "xc": "PBE", "project": "tmfp06d", "frequency": 632.07345115814019, "time": 53.19300389289856}


unique_id: b99fcf80a1a139ef4aee9f997958ce7f
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 452 characters]

key_value_pairs:
  {"name": "CuF", "basis": "tight", "relativistic": 0.0, "relaxed": true, "calculator_version": 81213.0, "xc": "PBE", "project": "tmfp06d", "frequency": 600.87020381546847, "time": 60.533624887466431}


unique_id: 96c966fc509a63000730a51d07f96c41
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 452 characters]

key_value_pairs:
  {"name": "CuH", "basis": "tight", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "xc": "PBE", "project": "tmfp06d", "frequency": 1982.3196241005287, "time": 40.913195848464966}


unique_id: 1934f5e695db18b417aacfb485fa37f7
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 473 characters]

key_value_pairs:
  {"name": "CrF", "basis": "tight", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "xc": "PBE", "project": "tmfp06d", "frequency": 651.62097984119464, "time": 4778.6250920295715}


unique_id: c65eed8868080f00ca1c831511fb6aa6
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 452 characters]

key_value_pairs:
  {"name": "CuH", "basis": "tight", "relativistic": 0.0, "relaxed": true, "calculator_version": 81213.0, "xc": "PBE", "project": "tmfp06d", "frequency": 1915.4586805204046, "time": 45.701128005981445}


unique_id: c7c422a39dbf2cf155137b633e43ced9
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 473 characters]

key_value_pairs:
  {"name": "CuO", "basis": "tight", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "xc": "PBE", "project": "tmfp06d", "frequency": 661.38009845523038, "time": 251.98312592506409}


unique_id: 452f3cc10030858d95f33a65aa1140a3
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 473 characters]

key_value_pairs:
  {"name": "CuO", "basis": "tight", "relativistic": 0.0, "relaxed": true, "calculator_version": 81213.0, "xc": "PBE", "project": "tmfp06d", "frequency": 655.45382187336224, "time": 412.82164406776428}


unique_id: 229a73d06c45af12a3aa6d86d468f191
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 473 characters]

key_value_pairs:
  {"name": "CrO", "basis": "tight", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "xc": "PBE", "project": "tmfp06d", "frequency": 908.78337315180352, "time": 2703.2211790084839}


unique_id: 174371257c5369d7ca73939b86733852
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 473 characters]

key_value_pairs:
  {"name": "CrO", "basis": "tight", "relativistic": 0.0, "relaxed": true, "calculator_version": 81213.0, "xc": "PBE", "project": "tmfp06d", "frequency": 922.45785377156415, "time": 1892.3499181270599}


unique_id: b682c35bf222cbc7703088114ef7815f
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 473 characters]

key_value_pairs:
  {"name": "CrF", "basis": "tight", "relativistic": 0.0, "relaxed": true, "calculator_version": 81213.0, "xc": "PBE", "project": "tmfp06d", "frequency": 642.36684676876928, "time": 4592.1136810779572}


unique_id: 5a895be90423e41dfb76e0ea7fb0df0a
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 473 characters]

key_value_pairs:
  {"name": "FeH", "basis": "tight", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "xc": "PBE", "project": "tmfp06d", "frequency": 1603.8851435859037, "time": 322.93985486030579}


unique_id: 12f9726c47399336e0d40ef7132c926e
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 473 characters]

key_value_pairs:
  {"name": "FeO", "basis": "tight", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "xc": "PBE", "project": "tmfp06d", "frequency": 889.57522131944677, "time": 458.47930717468262}


unique_id: 292c0e01c6a4612e1df8d6e3bdfd7f3d
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 473 characters]

key_value_pairs:
  {"name": "FeO", "basis": "tight", "relativistic": 0.0, "relaxed": true, "calculator_version": 81213.0, "xc": "PBE", "project": "tmfp06d", "frequency": 913.65441168052064, "time": 710.22367215156555}


unique_id: 22c4d2ad21f1a598ad38ef21fc55adf5
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 473 characters]

key_value_pairs:
  {"name": "K", "basis": "tight", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "xc": "PBE", "project": "tmfp06d", "time": 2.1607310771942139}


unique_id: d411de9356ff0a508849144eb7705b81
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 452 characters]

key_value_pairs:
  {"name": "K2", "basis": "tight", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "xc": "PBE", "project": "tmfp06d", "frequency": 95.036660860103311, "time": 38.338342189788818}


unique_id: fb48808f746ec1feee1cd24fafda11b3
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 452 characters]

key_value_pairs:
  {"name": "K2", "basis": "tight", "relativistic": 0.0, "relaxed": true, "calculator_version": 81213.0, "xc": "PBE", "project": "tmfp06d", "frequency": 89.564726757372796, "time": 44.661423921585083}


unique_id: dd00526beb54d6b6f01bec953ccd180b
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 452 characters]

key_value_pairs:
  {"name": "KF", "basis": "tight", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "xc": "PBE", "project": "tmfp06d", "frequency": 420.24343286186831, "time": 48.308004856109619}


unique_id: 783a16ca1af2dbe51340193e82af7f0a
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 452 characters]

key_value_pairs:
  {"name": "KH", "basis": "tight", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "xc": "PBE", "project": "tmfp06d", "frequency": 948.45188459795338, "time": 41.360877990722656}


unique_id: a8f2ccf85eb3fddb65119a94543518e6
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 473 characters]

key_value_pairs:
  {"name": "FeH", "basis": "tight", "relativistic": 0.0, "relaxed": true, "calculator_version": 81213.0, "xc": "PBE", "project": "tmfp06d", "frequency": 1815.3834056086707, "time": 1277.8988659381866}


unique_id: 75a4dd12b46e868a58334c47b5e04c43
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 473 characters]

key_value_pairs:
  {"name": "Mn", "basis": "tight", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "xc": "PBE", "project": "tmfp06d", "time": 1.9318778514862061}


unique_id: 383e47d7c5e9ef6e28a9c96f41c1dbfa
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 452 characters]

key_value_pairs:
  {"name": "KH", "basis": "tight", "relativistic": 0.0, "relaxed": true, "calculator_version": 81213.0, "xc": "PBE", "project": "tmfp06d", "frequency": 955.35782667683031, "time": 43.714034080505371}


unique_id: f3daf8beac02c4e27a551d73443e979d
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 452 characters]

key_value_pairs:
  {"name": "KF", "basis": "tight", "relativistic": 0.0, "relaxed": true, "calculator_version": 81213.0, "xc": "PBE", "project": "tmfp06d", "frequency": 416.14525396694415, "time": 52.353756904602051}


unique_id: 32cc8998c148e4bf7fd707168219782f
username: dulak
data: null
key_value_pairs:
  {"project": "tmfp06d", "name": "Ni", "calculator_version": 81213.0, "relativistic": 0.0, "basis": "tight", "xc": "PBE"}


unique_id: ffb59ca5438d87c3f8ae5abb469405b8
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 473 characters]

key_value_pairs:
  {"name": "MnO", "basis": "tight", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "xc": "PBE", "project": "tmfp06d", "frequency": 860.85445335950237, "time": 1364.4116489887238}


unique_id: 7ddd279f37f2b56cf783f2726ebb8cac
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 473 characters]

key_value_pairs:
  {"name": "NiO", "basis": "tight", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "xc": "PBE", "project": "tmfp06d", "frequency": 852.80373717659575, "time": 742.13067388534546}


unique_id: a07914cd6d6a042efbeb685d7534fd26
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 473 characters]

key_value_pairs:
  {"name": "MnO", "basis": "tight", "relativistic": 0.0, "relaxed": true, "calculator_version": 81213.0, "xc": "PBE", "project": "tmfp06d", "frequency": 904.89164638913871, "time": 1449.3447248935699}


unique_id: a929c289396b58db73a071fa099d7c1e
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 473 characters]

key_value_pairs:
  {"name": "Sc2", "basis": "tight", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "xc": "PBE", "project": "tmfp06d", "frequency": 207.02578982236523, "time": 62.984107971191406}


unique_id: 780be57f47af3ae2c494291db519b8b6
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 473 characters]

key_value_pairs:
  {"name": "Sc2", "basis": "tight", "relativistic": 0.0, "relaxed": true, "calculator_version": 81213.0, "xc": "PBE", "project": "tmfp06d", "frequency": 245.58036652599188, "time": 70.285929918289185}


unique_id: 1aff3aeffbc32d563810ba0cde566383
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 473 characters]

key_value_pairs:
  {"name": "NiO", "basis": "tight", "relativistic": 0.0, "relaxed": true, "calculator_version": 81213.0, "xc": "PBE", "project": "tmfp06d", "frequency": 841.73577428029159, "time": 762.98909306526184}


unique_id: d7d8714d993f8ef91a6d97f62fb693e9
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 452 characters]

key_value_pairs:
  {"name": "ScH", "basis": "tight", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "xc": "PBE", "project": "tmfp06d", "frequency": 1543.2484426142312, "time": 40.824093103408813}


unique_id: fc6e62118c63d1480c7a6570abf6d4a7
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 452 characters]

key_value_pairs:
  {"name": "ScH", "basis": "tight", "relativistic": 0.0, "relaxed": true, "calculator_version": 81213.0, "xc": "PBE", "project": "tmfp06d", "frequency": 1585.3107472360282, "time": 46.054305076599121}


unique_id: aff53903604c8226d51b98d87fdbeee7
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 452 characters]

key_value_pairs:
  {"name": "ScN", "basis": "tight", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "xc": "PBE", "project": "tmfp06d", "frequency": 886.9321629234521, "time": 86.310627937316895}


unique_id: 3c374806f84baa0fa1b88be94c55da71
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 452 characters]

key_value_pairs:
  {"name": "ScN", "basis": "tight", "relativistic": 0.0, "relaxed": true, "calculator_version": 81213.0, "xc": "PBE", "project": "tmfp06d", "frequency": 920.07528779813845, "time": 79.333487033843994}


unique_id: f38f86562a109c08cbf6b2fc5028e204
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 473 characters]

key_value_pairs:
  {"name": "ScO", "basis": "tight", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "xc": "PBE", "project": "tmfp06d", "frequency": 968.75350714166007, "time": 168.62799692153931}


unique_id: 1b0d8d4999d12f2e61c2e3470ae291e1
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 473 characters]

key_value_pairs:
  {"name": "ScO", "basis": "tight", "relativistic": 0.0, "relaxed": true, "calculator_version": 81213.0, "xc": "PBE", "project": "tmfp06d", "frequency": 971.49669217330836, "time": 128.04213190078735}


unique_id: 1bca38b6c8a36ca18cb30fa2ca3dc9a5
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 473 characters]

key_value_pairs:
  {"name": "Ti2", "basis": "tight", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "xc": "PBE", "project": "tmfp06d", "frequency": 407.69778095156556, "time": 369.78968596458435}


unique_id: e7e2ba323456668f82288e4a6debb6f7
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 473 characters]

key_value_pairs:
  {"name": "Ti2", "basis": "tight", "relativistic": 0.0, "relaxed": true, "calculator_version": 81213.0, "xc": "PBE", "project": "tmfp06d", "frequency": 467.37343499589537, "time": 248.75257897377014}


unique_id: 4ee936965c0a49d3bcefd548181fa9bb
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 473 characters]

key_value_pairs:
  {"name": "TiF", "basis": "tight", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "xc": "PBE", "project": "tmfp06d", "frequency": 592.35117901531623, "time": 2144.977527141571}


unique_id: 437bce3287f88d277325894e03005acd
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 473 characters]

key_value_pairs:
  {"name": "TiH", "basis": "tight", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "xc": "PBE", "project": "tmfp06d", "frequency": 1521.412951205479, "time": 765.3854238986969}


unique_id: af56c02f66ec914966f56075a668706b
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 473 characters]

key_value_pairs:
  {"name": "TiH", "basis": "tight", "relativistic": 0.0, "relaxed": true, "calculator_version": 81213.0, "xc": "PBE", "project": "tmfp06d", "frequency": 1551.4595045965161, "time": 1314.403902053833}


unique_id: 80bd4b0104483583c2d976e16b87678f
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 473 characters]

key_value_pairs:
  {"name": "TiF", "basis": "tight", "relativistic": 0.0, "relaxed": true, "calculator_version": 81213.0, "xc": "PBE", "project": "tmfp06d", "frequency": 696.86361006288439, "time": 2248.5838260650635}


unique_id: e473c85ba0901f00393117dce648238a
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 473 characters]

key_value_pairs:
  {"name": "TiN", "basis": "tight", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "xc": "PBE", "project": "tmfp06d", "frequency": 1111.0792730858286, "time": 1648.1934280395508}


unique_id: 13e9a7d17ea9288e86123f50068527a3
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 473 characters]

key_value_pairs:
  {"name": "TiN", "basis": "tight", "relativistic": 0.0, "relaxed": true, "calculator_version": 81213.0, "xc": "PBE", "project": "tmfp06d", "frequency": 1100.1843399517568, "time": 2131.7667000293732}


unique_id: 3ff72ff7bc2bd5a60fbc774a7148dbdf
username: dulak
data: null
key_value_pairs:
  {"project": "tmfp06d", "name": "V", "calculator_version": 81213.0, "relativistic": 0.0, "basis": "tight", "xc": "PBE"}


unique_id: 35bd3b9e77c95206bb1c0d00ba0ce3c5
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 473 characters]

key_value_pairs:
  {"name": "V2", "basis": "tight", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "xc": "PBE", "project": "tmfp06d", "frequency": 599.49701471892479, "time": 209.4132969379425}


unique_id: 4f7a0ce701c6157998b05e69bd81e4f4
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 473 characters]

key_value_pairs:
  {"name": "V2", "basis": "tight", "relativistic": 0.0, "relaxed": true, "calculator_version": 81213.0, "xc": "PBE", "project": "tmfp06d", "frequency": 651.79672913506795, "time": 255.89592218399048}


unique_id: a48e0839669246726133aad0da938b95
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 452 characters]

key_value_pairs:
  {"name": "Zn", "basis": "tight", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "xc": "PBE", "project": "tmfp06d", "time": 2.4925429821014404}


unique_id: 1182897b1f9cbacc633527582946e627
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 452 characters]

key_value_pairs:
  {"name": "Zn2", "basis": "tight", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "xc": "PBE", "project": "tmfp06d", "frequency": 240.33194878825049, "time": 39.602789878845215}


unique_id: debc6ba0d13bab10f85f94ac8691b6d0
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 452 characters]

key_value_pairs:
  {"name": "Zn2", "basis": "tight", "relativistic": 0.0, "relaxed": true, "calculator_version": 81213.0, "xc": "PBE", "project": "tmfp06d", "frequency": 48.281882694614119, "time": 69.846683979034424}


unique_id: e8366d4a5c9ab36380ce476e4d4bc726
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 452 characters]

key_value_pairs:
  {"name": "ZnO", "basis": "tight", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "xc": "PBE", "project": "tmfp06d", "frequency": 710.18158739527917, "time": 113.54235315322876}


unique_id: 303d6a91659a0847ab7e6e92cf9cd8e3
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 452 characters]

key_value_pairs:
  {"name": "ZnO", "basis": "tight", "relativistic": 0.0, "relaxed": true, "calculator_version": 81213.0, "xc": "PBE", "project": "tmfp06d", "frequency": 753.65677149778639, "time": 110.01011085510254}


unique_id: 3d5d6071043565b2dce00227eb1ab229
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 473 characters]

key_value_pairs:
  {"name": "VO", "basis": "tight", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "xc": "PBE", "project": "tmfp06d", "frequency": 1013.8092443820102, "time": 2009.7890110015869}


unique_id: 51656f3f41e0383362963297c9523960
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 473 characters]

key_value_pairs:
  {"name": "VO", "basis": "tight", "relativistic": 0.0, "relaxed": true, "calculator_version": 81213.0, "xc": "PBE", "project": "tmfp06d", "frequency": 1022.0489830271806, "time": 1358.4929349422455}


unique_id: 993bc0e6fcd88ddc3042b75b2c605740
username: dulak
calculator: aims
data: null
calculator_parameters:
  {"charge_mix_param": 0.00050000000000000001, "sc_iter_limit": 29000, "KS_method": "elpa", "relativistic": "none", "xc": "pbe", "override_illconditioning": true, "species_dir": "/home/niflheim2/dulak/projects/dcdft/aims/tight", "sc_accuracy_eev": 0.001, "sc_accuracy_rho": 0.0001, "sc_accuracy_forces": 0.001, "occupation_type": ["gaussian", 1.0000000000000001e-05], "spin": "collinear", "basis_threshold": 5.0000000000000002e-05, "override_relativity": true}

key_value_pairs:
  {"name": "Co", "basis": "tight", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "xc": "PBE", "project": "tmfp06d", "time": 293.16747212409973}


unique_id: 6fa5dd867a86058b282148f1711706b2
username: dulak
data: null
key_value_pairs:
  {"project": "tmfp06d", "name": "Co2", "calculator_version": 81213.0, "relativistic": 0.0, "basis": "tight", "xc": "PBE"}


unique_id: e04ccbadefbdcf34f13c9f7a96b617d9
username: dulak
calculator: aims
data: null
calculator_parameters:
  {"charge_mix_param": 0.00050000000000000001, "sc_iter_limit": 29000, "KS_method": "elpa", "relativistic": "none", "xc": "pbe", "override_illconditioning": true, "species_dir": "/home/niflheim2/dulak/projects/dcdft/aims/tight", "sc_accuracy_eev": 0.001, "sc_accuracy_rho": 0.0001, "sc_accuracy_forces": 0.001, "occupation_type": ["gaussian", 1.0000000000000001e-05], "spin": "collinear", "basis_threshold": 5.0000000000000002e-05, "override_relativity": true}

key_value_pairs:
  {"name": "Co2", "basis": "tight", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "xc": "PBE", "project": "tmfp06d", "frequency": 387.01937856667888, "time": 4740.4472138881683}


unique_id: bc7ff5fb1d6e879fbcc1d88588b4f625
username: dulak
calculator: aims
data: null
calculator_parameters:
  {"charge_mix_param": 0.00050000000000000001, "sc_iter_limit": 19000, "KS_method": "elpa", "relativistic": "none", "xc": "pbe", "override_illconditioning": true, "species_dir": "/home/niflheim2/dulak/projects/dcdft/aims/tight", "sc_accuracy_eev": 0.0001, "sc_accuracy_rho": 0.002, "sc_accuracy_forces": 0.001, "occupation_type": ["gaussian", 1.0000000000000001e-05], "spin": "collinear", "basis_threshold": 5.0000000000000002e-05, "override_relativity": true}

key_value_pairs:
  {"name": "Fe", "basis": "tight", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "xc": "PBE", "project": "tmfp06d", "time": 50.125288009643555}


unique_id: 8b961d87be5e99a5416459e53d770242
username: dulak
data: null
key_value_pairs:
  {"project": "tmfp06d", "name": "Fe2", "calculator_version": 81213.0, "relativistic": 0.0, "basis": "tight", "xc": "PBE"}


unique_id: 5a82fce9ca157e2d04e39c8afd4c0503
username: dulak
data: null
key_value_pairs:
  {"project": "tmfp06d", "name": "Mn2", "calculator_version": 81213.0, "relativistic": 0.0, "basis": "tight", "xc": "PBE"}


unique_id: 90a4c9927b5690fe3bd420079f1e9ece
username: dulak
calculator: aims
data: null
calculator_parameters:
  {"charge_mix_param": 0.00050000000000000001, "sc_iter_limit": 19000, "KS_method": "elpa", "relativistic": "none", "xc": "pbe", "override_illconditioning": true, "species_dir": "/home/niflheim2/dulak/projects/dcdft/aims/tight", "sc_accuracy_eev": 0.002, "sc_accuracy_rho": 0.002, "sc_accuracy_forces": 0.001, "occupation_type": ["gaussian", 1.0000000000000001e-05], "spin": "collinear", "basis_threshold": 5.0000000000000002e-05, "override_relativity": true}

key_value_pairs:
  {"name": "FeF", "basis": "tight", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "xc": "PBE", "project": "tmfp06d", "frequency": 624.07593825248409, "time": 574.42919111251831}


unique_id: be9184d0e7582fa84b981610f490f2c8
username: dulak
data: null
key_value_pairs:
  {"project": "tmfp06d", "name": "Ni2", "calculator_version": 81213.0, "relativistic": 0.0, "basis": "tight", "xc": "PBE"}


unique_id: f34a060df29ffe74a544a6837a05ad17
username: dulak
data: null
key_value_pairs:
  {"project": "tmfp06d", "name": "NiH", "calculator_version": 81213.0, "relativistic": 0.0, "basis": "tight", "xc": "PBE"}


unique_id: 98de96cd3f89fa5d12a2d6a023d010e8
username: dulak
data: null
key_value_pairs:
  {"project": "tmfp06d", "name": "ScF", "calculator_version": 81213.0, "relativistic": 0.0, "basis": "tight", "xc": "PBE"}


unique_id: c444f1d1147db8f043cad516764470d9
username: dulak
calculator: aims
data: null
calculator_parameters:
  {"charge_mix_param": 0.00050000000000000001, "sc_iter_limit": 19000, "KS_method": "elpa", "relativistic": "none", "xc": "pbe", "override_illconditioning": true, "species_dir": "/home/niflheim2/dulak/projects/dcdft/aims/tight", "sc_accuracy_eev": 0.0001, "sc_accuracy_rho": 0.002, "sc_accuracy_forces": 0.001, "occupation_type": ["gaussian", 1.0000000000000001e-05], "spin": "collinear", "basis_threshold": 5.0000000000000002e-05, "override_relativity": true}

key_value_pairs:
  {"name": "Sc", "basis": "tight", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "xc": "PBE", "project": "tmfp06d", "time": 2.4853160381317139}


unique_id: 1e1df48c6c4a03c2693547401468beb9
username: dulak
calculator: aims
data: null
calculator_parameters:
  {"charge_mix_param": 0.00050000000000000001, "sc_iter_limit": 19000, "KS_method": "elpa", "relativistic": "none", "xc": "pbe", "override_illconditioning": true, "species_dir": "/home/niflheim2/dulak/projects/dcdft/aims/tight", "sc_accuracy_eev": 0.0001, "sc_accuracy_rho": 0.002, "sc_accuracy_forces": 0.001, "occupation_type": ["gaussian", 1.0000000000000001e-05], "spin": "collinear", "basis_threshold": 5.0000000000000002e-05, "override_relativity": true}

key_value_pairs:
  {"name": "Ti", "basis": "tight", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "xc": "PBE", "project": "tmfp06d", "time": 52.130760908126831}


unique_id: 7ed916cd77756979304c3f3514d2f126
username: dulak
calculator: aims
data: null
calculator_parameters:
  {"charge_mix_param": 0.00050000000000000001, "sc_iter_limit": 19000, "KS_method": "elpa", "relativistic": "none", "xc": "pbe", "override_illconditioning": true, "species_dir": "/home/niflheim2/dulak/projects/dcdft/aims/tight", "sc_accuracy_eev": 0.001, "sc_accuracy_rho": 0.0001, "sc_accuracy_forces": 0.001, "occupation_type": ["gaussian", 1.0000000000000001e-05], "spin": "collinear", "basis_threshold": 5.0000000000000002e-05, "override_relativity": true}

key_value_pairs:
  {"name": "Ni2", "basis": "tight", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "xc": "PBE", "project": "tmfp06d", "frequency": 295.09345800875212, "time": 1280.8009989261627}


unique_id: f848b45f992426a2fe1a8283f367eb48
username: dulak
calculator: aims
data: null
calculator_parameters:
  {"charge_mix_param": 0.00050000000000000001, "sc_iter_limit": 19000, "KS_method": "elpa", "relativistic": "none", "xc": "pbe", "override_illconditioning": true, "species_dir": "/home/niflheim2/dulak/projects/dcdft/aims/tight", "sc_accuracy_eev": 0.001, "sc_accuracy_rho": 0.0001, "sc_accuracy_forces": 0.001, "occupation_type": ["gaussian", 1.0000000000000001e-05], "spin": "collinear", "basis_threshold": 5.0000000000000002e-05, "override_relativity": true}

key_value_pairs:
  {"name": "MnH", "basis": "tight", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "xc": "PBE", "project": "tmfp06d", "frequency": 1851.1677983804914, "time": 2130.6861660480499}


unique_id: 724caed8f4e4918adca6760d51d39c1f
username: dulak
calculator: aims
data: null
calculator_parameters:
  {"charge_mix_param": 0.00050000000000000001, "sc_iter_limit": 19000, "KS_method": "elpa", "relativistic": "none", "xc": "pbe", "override_illconditioning": true, "species_dir": "/home/niflheim2/dulak/projects/dcdft/aims/tight", "sc_accuracy_eev": 0.001, "sc_accuracy_rho": 0.0001, "sc_accuracy_forces": 0.001, "occupation_type": ["gaussian", 1.0000000000000001e-05], "spin": "collinear", "basis_threshold": 5.0000000000000002e-05, "override_relativity": true}

key_value_pairs:
  {"name": "MnH", "basis": "tight", "relativistic": 0.0, "relaxed": true, "calculator_version": 81213.0, "xc": "PBE", "project": "tmfp06d", "frequency": 1719.9754590197781, "time": 160.92260599136353}


unique_id: 570fd3fc19bb9a369269dfba7ae11c26
username: dulak
calculator: aims
data: null
calculator_parameters:
  {"charge_mix_param": 0.00050000000000000001, "sc_iter_limit": 19000, "KS_method": "elpa", "relativistic": "none", "xc": "pbe", "override_illconditioning": true, "species_dir": "/home/niflheim2/dulak/projects/dcdft/aims/tight", "sc_accuracy_eev": 0.002, "sc_accuracy_rho": 0.002, "sc_accuracy_forces": 0.001, "occupation_type": ["gaussian", 1.0000000000000001e-05], "spin": "collinear", "basis_threshold": 5.0000000000000002e-05, "override_relativity": true}

key_value_pairs:
  {"name": "TiO", "basis": "tight", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "xc": "PBE", "project": "tmfp06d", "frequency": 1060.2443216957333, "time": 5088.7367010116577}


unique_id: 5d4e67d7a8b8ed26923776684da80ae8
username: dulak
calculator: aims
data: null
calculator_parameters:
  {"charge_mix_param": 0.00050000000000000001, "sc_iter_limit": 19000, "KS_method": "elpa", "relativistic": "none", "xc": "pbe", "override_illconditioning": true, "species_dir": "/home/niflheim2/dulak/projects/dcdft/aims/tight", "sc_accuracy_eev": 0.002, "sc_accuracy_rho": 0.002, "sc_accuracy_forces": 0.001, "occupation_type": ["gaussian", 1.0000000000000001e-05], "spin": "collinear", "basis_threshold": 5.0000000000000002e-05, "override_relativity": true}

key_value_pairs:
  {"name": "FeF", "basis": "tight", "relativistic": 0.0, "relaxed": true, "calculator_version": 81213.0, "xc": "PBE", "project": "tmfp06d", "frequency": 795.5744634377279, "time": 6831.2393050193787}


unique_id: ac22e4ab514a9b1c80bad2989add8e16
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 457 characters]

key_value_pairs:
  {"name": "VN", "basis": "tight", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "xc": "PBE", "project": "tmfp06d", "frequency": 1065.953744148012, "time": 6540.6922950744629}


unique_id: 1f02a5e97ef9a99c383b026ca4ea5ec5
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 457 characters]

key_value_pairs:
  {"name": "TiO", "basis": "tight", "relativistic": 0.0, "relaxed": true, "calculator_version": 81213.0, "xc": "PBE", "project": "tmfp06d", "frequency": 1003.3816244987064, "time": 12600.572578191757}


unique_id: 303170ab117d3c039f17cbc0efd03702
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 457 characters]

key_value_pairs:
  {"name": "VN", "basis": "tight", "relativistic": 0.0, "relaxed": true, "calculator_version": 81213.0, "xc": "PBE", "project": "tmfp06d", "frequency": 1177.572957655701, "time": 14085.618813037872}


unique_id: c900bd505a3257b5075f6c0c7054cb95
username: dulak
calculator: aims
data: null
calculator_parameters:
  {"charge_mix_param": 0.00050000000000000001, "sc_iter_limit": 19000, "KS_method": "elpa", "relativistic": "none", "xc": "pbe", "override_illconditioning": true, "species_dir": "/home/niflheim2/dulak/projects/dcdft/aims/tier2", "sc_accuracy_eev": 1.0000000000000001e-05, "sc_accuracy_rho": 1.0000000000000001e-05, "sc_accuracy_forces": 0.001, "occupation_type": ["gaussian", 1.0000000000000001e-05], "spin": "collinear", "basis_threshold": 5.0000000000000002e-05, "override_relativity": true}

key_value_pairs:
  {"name": "H", "basis": "tier2", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "xc": "PBE", "project": "tmfp06d", "time": 2.2982261180877686}


unique_id: 5d0e610f654af8bb4678d8d73203e48f
username: dulak
calculator: aims
data: null
calculator_parameters:
  {"charge_mix_param": 0.00050000000000000001, "sc_iter_limit": 19000, "KS_method": "elpa", "relativistic": "none", "xc": "pbe", "override_illconditioning": true, "species_dir": "/home/niflheim2/dulak/projects/dcdft/aims/tier2", "sc_accuracy_eev": 1.0000000000000001e-05, "sc_accuracy_rho": 1.0000000000000001e-05, "sc_accuracy_forces": 0.001, "occupation_type": ["gaussian", 1.0000000000000001e-05], "spin": "collinear", "basis_threshold": 5.0000000000000002e-05, "override_relativity": true}

key_value_pairs:
  {"name": "N", "basis": "tier2", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "xc": "PBE", "project": "tmfp06d", "time": 1.9824140071868896}


unique_id: c3f88bcd499b0b258adb659496f5021c
username: dulak
calculator: aims
data: null
calculator_parameters:
  {"charge_mix_param": 0.00050000000000000001, "sc_iter_limit": 19000, "KS_method": "elpa", "relativistic": "none", "xc": "pbe", "override_illconditioning": true, "species_dir": "/home/niflheim2/dulak/projects/dcdft/aims/tier2", "sc_accuracy_eev": 1.0000000000000001e-05, "sc_accuracy_rho": 1.0000000000000001e-05, "sc_accuracy_forces": 0.001, "occupation_type": ["gaussian", 1.0000000000000001e-05], "spin": "collinear", "basis_threshold": 5.0000000000000002e-05, "override_relativity": true}

key_value_pairs:
  {"name": "O", "basis": "tier2", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "xc": "PBE", "project": "tmfp06d", "time": 4.2494781017303467}


unique_id: c0ef31a30698327d39de49b65e8eb84c
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 491 characters]

key_value_pairs:
  {"name": "F", "basis": "tier2", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "xc": "PBE", "project": "tmfp06d", "time": 210.29050898551941}


unique_id: af3a0bb18f7263c1f43551b94a1d1292
username: dulak
calculator: aims
data: null
calculator_parameters:
  {"charge_mix_param": 0.00050000000000000001, "sc_iter_limit": 19000, "KS_method": "elpa", "relativistic": "none", "xc": "pbe", "override_illconditioning": true, "species_dir": "/home/niflheim2/dulak/projects/dcdft/aims/tier2", "sc_accuracy_eev": 1.0000000000000001e-05, "sc_accuracy_rho": 1.0000000000000001e-05, "sc_accuracy_forces": 0.001, "occupation_type": ["gaussian", 1.0000000000000001e-05], "basis_threshold": 5.0000000000000002e-05, "override_relativity": true}

key_value_pairs:
  {"name": "Ca", "basis": "tier2", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "xc": "PBE", "project": "tmfp06d", "time": 2.1003339290618896}


unique_id: df2c8c9ed57f91be84d0b65a8e281cd4
username: dulak
calculator: aims
data: null
calculator_parameters:
  {"charge_mix_param": 0.00050000000000000001, "sc_iter_limit": 19000, "KS_method": "elpa", "relativistic": "none", "xc": "pbe", "override_illconditioning": true, "species_dir": "/home/niflheim2/dulak/projects/dcdft/aims/tier2", "sc_accuracy_eev": 1.0000000000000001e-05, "sc_accuracy_rho": 1.0000000000000001e-05, "sc_accuracy_forces": 0.001, "occupation_type": ["gaussian", 1.0000000000000001e-05], "basis_threshold": 5.0000000000000002e-05, "override_relativity": true}

key_value_pairs:
  {"name": "Ca2", "basis": "tier2", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "xc": "PBE", "project": "tmfp06d", "frequency": 69.860679899238832, "time": 73.784936904907227}


unique_id: 97ae102dc4d557f91107f7223c3c44db
username: dulak
calculator: aims
data: null
calculator_parameters:
  {"charge_mix_param": 0.00050000000000000001, "sc_iter_limit": 19000, "KS_method": "elpa", "relativistic": "none", "xc": "pbe", "override_illconditioning": true, "species_dir": "/home/niflheim2/dulak/projects/dcdft/aims/tier2", "sc_accuracy_eev": 1.0000000000000001e-05, "sc_accuracy_rho": 1.0000000000000001e-05, "sc_accuracy_forces": 0.001, "occupation_type": ["gaussian", 1.0000000000000001e-05], "basis_threshold": 5.0000000000000002e-05, "override_relativity": true}

key_value_pairs:
  {"name": "Ca2", "basis": "tier2", "relativistic": 0.0, "relaxed": true, "calculator_version": 81213.0, "xc": "PBE", "project": "tmfp06d", "frequency": 90.529040053134253, "time": 92.988134860992432}


unique_id: 8a8b9277b030da4fb1dd98ca146c529f
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 491 characters]

key_value_pairs:
  {"name": "CaF", "basis": "tier2", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "xc": "PBE", "project": "tmfp06d", "frequency": 550.15201353310943, "time": 115.61364102363586}


unique_id: 3fffb57a482f96ebde6f621e283bd5bc
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 491 characters]

key_value_pairs:
  {"name": "CaF", "basis": "tier2", "relativistic": 0.0, "relaxed": true, "calculator_version": 81213.0, "xc": "PBE", "project": "tmfp06d", "frequency": 591.84123074292302, "time": 524.40833902359009}


unique_id: 9b7ca7518d3ead7a2dfca53ddbc5d132
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 491 characters]

key_value_pairs:
  {"name": "CaH", "basis": "tier2", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "xc": "PBE", "project": "tmfp06d", "frequency": 1227.8761616523143, "time": 72.368485927581787}


unique_id: b8a34ca9d7e1e6fe1a57ae683a7f9a6a
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 491 characters]

key_value_pairs:
  {"name": "CaH", "basis": "tier2", "relativistic": 0.0, "relaxed": true, "calculator_version": 81213.0, "xc": "PBE", "project": "tmfp06d", "frequency": 1291.7998327847451, "time": 83.678883075714111}


unique_id: 137c3d714fee5e96d8c737198d30fe9b
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 470 characters]

key_value_pairs:
  {"name": "CaO", "basis": "tier2", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "xc": "PBE", "project": "tmfp06d", "frequency": 742.64455263689661, "time": 123.3440420627594}


unique_id: 65e0e1d12f564c5209a2dcaa6915c522
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 470 characters]

key_value_pairs:
  {"name": "CaO", "basis": "tier2", "relativistic": 0.0, "relaxed": true, "calculator_version": 81213.0, "xc": "PBE", "project": "tmfp06d", "frequency": 765.65163523506055, "time": 137.981281042099}


unique_id: d136ea8e8704386fc1cf578ecf3643fb
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 491 characters]

key_value_pairs:
  {"name": "CoH", "basis": "tier2", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "xc": "PBE", "project": "tmfp06d", "frequency": 1824.9470922050523, "time": 3230.2900259494781}


unique_id: a831742c6d42f1efcb7587d1c43ee1f8
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 491 characters]

key_value_pairs:
  {"name": "CoH", "basis": "tier2", "relativistic": 0.0, "relaxed": true, "calculator_version": 81213.0, "xc": "PBE", "project": "tmfp06d", "frequency": 1836.2652560788033, "time": 571.75521206855774}


unique_id: d948837979e2d5b57d304f301244041f
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 491 characters]

key_value_pairs:
  {"name": "Cr", "basis": "tier2", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "xc": "PBE", "project": "tmfp06d", "time": 3.1508519649505615}


unique_id: 80cae08e601db21df5815b49baaee195
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 470 characters]

key_value_pairs:
  {"name": "Cr2", "basis": "tier2", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "xc": "PBE", "project": "tmfp06d", "frequency": 591.27664336345867, "time": 161.36075806617737}


unique_id: fa4231e11220fe70b0785baf9d608c0b
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 470 characters]

key_value_pairs:
  {"name": "Cr2", "basis": "tier2", "relativistic": 0.0, "relaxed": true, "calculator_version": 81213.0, "xc": "PBE", "project": "tmfp06d", "frequency": 813.91404666544736, "time": 181.11595606803894}


unique_id: fed3d11f8f4965098877648761127a10
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 491 characters]

key_value_pairs:
  {"name": "CrH", "basis": "tier2", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "xc": "PBE", "project": "tmfp06d", "frequency": 1631.0341796547036, "time": 112.98437094688416}


unique_id: 4ff24c173d2ad8a0cb8e7f94fe6f8eba
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 491 characters]

key_value_pairs:
  {"name": "CrH", "basis": "tier2", "relativistic": 0.0, "relaxed": true, "calculator_version": 81213.0, "xc": "PBE", "project": "tmfp06d", "frequency": 1640.7238817357313, "time": 119.3988790512085}


unique_id: f5619055b2c15d24ca29eba1af983343
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 491 characters]

key_value_pairs:
  {"name": "Cu", "basis": "tier2", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "xc": "PBE", "project": "tmfp06d", "time": 3.565410852432251}


unique_id: 855a28edeea51c372a3cebe8dd0a2db9
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 470 characters]

key_value_pairs:
  {"name": "Cu2", "basis": "tier2", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "xc": "PBE", "project": "tmfp06d", "frequency": 272.13277208915849, "time": 78.121936082839966}


unique_id: e122971bcdc7af9aa3304ec511cd0328
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 470 characters]

key_value_pairs:
  {"name": "Cu2", "basis": "tier2", "relativistic": 0.0, "relaxed": true, "calculator_version": 81213.0, "xc": "PBE", "project": "tmfp06d", "frequency": 254.86435835026771, "time": 88.890609979629517}


unique_id: 5eed0046e3552f98e96194255f848ebe
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 470 characters]

key_value_pairs:
  {"name": "CuH", "basis": "tier2", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "xc": "PBE", "project": "tmfp06d", "frequency": 1978.2030348766111, "time": 57.785186052322388}


unique_id: d9994421173d7b8b09b1f9a773d01394
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 470 characters]

key_value_pairs:
  {"name": "CuF", "basis": "tier2", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "xc": "PBE", "project": "tmfp06d", "frequency": 630.45074962942272, "time": 80.670306921005249}


unique_id: 749cfb6577d04f240756fde8da223828
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 470 characters]

key_value_pairs:
  {"name": "CuH", "basis": "tier2", "relativistic": 0.0, "relaxed": true, "calculator_version": 81213.0, "xc": "PBE", "project": "tmfp06d", "frequency": 1920.1282289439771, "time": 66.149679183959961}


unique_id: fe02443e637fe7a6127db5e5bf2de63f
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 470 characters]

key_value_pairs:
  {"name": "CuF", "basis": "tier2", "relativistic": 0.0, "relaxed": true, "calculator_version": 81213.0, "xc": "PBE", "project": "tmfp06d", "frequency": 602.07265886401785, "time": 92.22284984588623}


unique_id: c20295ee7723808cff025450330ba391
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 491 characters]

key_value_pairs:
  {"name": "CuO", "basis": "tier2", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "xc": "PBE", "project": "tmfp06d", "frequency": 659.23280873544115, "time": 384.90697193145752}


unique_id: 53b246cffc74611cb38dcb6bc351f29d
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 491 characters]

key_value_pairs:
  {"name": "CuO", "basis": "tier2", "relativistic": 0.0, "relaxed": true, "calculator_version": 81213.0, "xc": "PBE", "project": "tmfp06d", "frequency": 666.84294136351423, "time": 822.80567598342896}


unique_id: a9b8c3e5c37202da39de725208c52af2
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 491 characters]

key_value_pairs:
  {"name": "Fe2", "basis": "tier2", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "xc": "PBE", "project": "tmfp06d", "frequency": 386.07078415580696, "time": 1391.5009059906006}


unique_id: 44f126c148d6f3d6669eddc67caab088
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 491 characters]

key_value_pairs:
  {"name": "K", "basis": "tier2", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "xc": "PBE", "project": "tmfp06d", "time": 3.8499109745025635}


unique_id: 6ce898a172ff8b85e8a1d2451700b42f
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 491 characters]

key_value_pairs:
  {"name": "Fe2", "basis": "tier2", "relativistic": 0.0, "relaxed": true, "calculator_version": 81213.0, "xc": "PBE", "project": "tmfp06d", "frequency": 401.15319332263959, "time": 1744.2792861461639}


unique_id: 18a4cd85e6497b9200dd70a9889d5648
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 470 characters]

key_value_pairs:
  {"name": "KH", "basis": "tier2", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "xc": "PBE", "project": "tmfp06d", "frequency": 947.45368545348435, "time": 54.272256851196289}


unique_id: b38a395f2b8183ffc69dee6d0cd67ab0
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 470 characters]

key_value_pairs:
  {"name": "K2", "basis": "tier2", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "xc": "PBE", "project": "tmfp06d", "frequency": 95.125677215925577, "time": 63.80180811882019}


unique_id: 10edb28a719627c2ac9d5ff1c0f8c112
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 470 characters]

key_value_pairs:
  {"name": "KF", "basis": "tier2", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "xc": "PBE", "project": "tmfp06d", "frequency": 411.80498430430526, "time": 72.207165956497192}


unique_id: 84e6e82853aee134340c4ad13f1132be
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 470 characters]

key_value_pairs:
  {"name": "KH", "basis": "tier2", "relativistic": 0.0, "relaxed": true, "calculator_version": 81213.0, "xc": "PBE", "project": "tmfp06d", "frequency": 957.44028671746673, "time": 56.077726125717163}


unique_id: 9575cec67e1cd318819a8a6f970a0e5e
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 491 characters]

key_value_pairs:
  {"name": "Mn", "basis": "tier2", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "xc": "PBE", "project": "tmfp06d", "time": 2.9350690841674805}


unique_id: f2a2595ce70f6e88ed58d8f774a31a9e
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 470 characters]

key_value_pairs:
  {"name": "K2", "basis": "tier2", "relativistic": 0.0, "relaxed": true, "calculator_version": 81213.0, "xc": "PBE", "project": "tmfp06d", "frequency": 89.645521494595201, "time": 69.871769905090332}


unique_id: 84068793768b84c25d07b9165b9d0589
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 470 characters]

key_value_pairs:
  {"name": "KF", "basis": "tier2", "relativistic": 0.0, "relaxed": true, "calculator_version": 81213.0, "xc": "PBE", "project": "tmfp06d", "frequency": 416.92922247851379, "time": 75.80456805229187}


unique_id: b262c72bd171af855a489de740850d3b
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 491 characters]

key_value_pairs:
  {"name": "CrF", "basis": "tier2", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "xc": "PBE", "project": "tmfp06d", "frequency": 650.79164800578508, "time": 9439.1007480621338}


unique_id: 8dde15fa0fd56b45a6cd7ea8d8590690
username: dulak
data: null
key_value_pairs:
  {"project": "tmfp06d", "name": "Ni", "calculator_version": 81213.0, "relativistic": 0.0, "basis": "tier2", "xc": "PBE"}


unique_id: e6faebf6147fb37bbc5c7087582f3a65
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 491 characters]

key_value_pairs:
  {"name": "FeH", "basis": "tier2", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "xc": "PBE", "project": "tmfp06d", "frequency": 1611.9300173098952, "time": 2167.3798139095306}


unique_id: ff30bab58e91ba23195e4446363dccfc
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 491 characters]

key_value_pairs:
  {"name": "CrN", "basis": "tier2", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "xc": "PBE", "project": "tmfp06d", "frequency": 951.38168875844065, "time": 9982.4491360187531}


unique_id: 3c487f855702b868bd13ee0bfce67992
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 491 characters]

key_value_pairs:
  {"name": "FeH", "basis": "tier2", "relativistic": 0.0, "relaxed": true, "calculator_version": 81213.0, "xc": "PBE", "project": "tmfp06d", "frequency": 1801.8436225360085, "time": 1074.9045679569244}


unique_id: fc74e5cfa86104af2559077b60dd8304
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 491 characters]

key_value_pairs:
  {"name": "NiO", "basis": "tier2", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "xc": "PBE", "project": "tmfp06d", "frequency": 851.2186610679704, "time": 1962.7224638462067}


unique_id: d377b38850cc237cc675ad296f6e98ed
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 491 characters]

key_value_pairs:
  {"name": "MnO", "basis": "tier2", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "xc": "PBE", "project": "tmfp06d", "frequency": 858.97636524956079, "time": 6384.2897801399231}


unique_id: 295b6e79c89397f5a50df398384bdb29
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 491 characters]

key_value_pairs:
  {"name": "NiO", "basis": "tier2", "relativistic": 0.0, "relaxed": true, "calculator_version": 81213.0, "xc": "PBE", "project": "tmfp06d", "frequency": 843.47449766017473, "time": 2979.6487782001495}


unique_id: 43df0b30059887abcc8d676583728f7b
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 491 characters]

key_value_pairs:
  {"name": "Sc", "basis": "tier2", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "xc": "PBE", "project": "tmfp06d", "time": 1390.267688035965}


unique_id: d8d89dd752b6c2a2c14fff9e75c66b7e
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 491 characters]

key_value_pairs:
  {"name": "Sc2", "basis": "tier2", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "xc": "PBE", "project": "tmfp06d", "frequency": 208.69127260427101, "time": 164.92162799835205}


unique_id: 141bb26c8115a52ea6d26b7d390b14e5
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 491 characters]

key_value_pairs:
  {"name": "Sc2", "basis": "tier2", "relativistic": 0.0, "relaxed": true, "calculator_version": 81213.0, "xc": "PBE", "project": "tmfp06d", "frequency": 245.8470818615767, "time": 199.17666506767273}


unique_id: 761169c99c205de58b532e909cb7d6e7
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 491 characters]

key_value_pairs:
  {"name": "MnO", "basis": "tier2", "relativistic": 0.0, "relaxed": true, "calculator_version": 81213.0, "xc": "PBE", "project": "tmfp06d", "frequency": 904.94696485563827, "time": 9951.6382758617401}


unique_id: 8407040bb2a002349054d3369fdcb4fc
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 470 characters]

key_value_pairs:
  {"name": "ScH", "basis": "tier2", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "xc": "PBE", "project": "tmfp06d", "frequency": 1543.1733688904894, "time": 68.257458925247192}


unique_id: 1ec149d4ad02c4fafc3dec1b7508dcb4
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 470 characters]

key_value_pairs:
  {"name": "ScH", "basis": "tier2", "relativistic": 0.0, "relaxed": true, "calculator_version": 81213.0, "xc": "PBE", "project": "tmfp06d", "frequency": 1578.2778635863613, "time": 73.886039018630981}


unique_id: bbed73ba57de8a7972e9d0d15940e143
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 470 characters]

key_value_pairs:
  {"name": "ScN", "basis": "tier2", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "xc": "PBE", "project": "tmfp06d", "frequency": 883.34287084917094, "time": 129.09767484664917}


unique_id: d32f271b49e4c8095734adc5459bdd8d
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 470 characters]

key_value_pairs:
  {"name": "ScN", "basis": "tier2", "relativistic": 0.0, "relaxed": true, "calculator_version": 81213.0, "xc": "PBE", "project": "tmfp06d", "frequency": 920.46322795573292, "time": 163.6725218296051}


unique_id: c6ec86b23c54d0604db69574a3f8f18b
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 491 characters]

key_value_pairs:
  {"name": "ScO", "basis": "tier2", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "xc": "PBE", "project": "tmfp06d", "frequency": 964.01434029574693, "time": 618.70853996276855}


unique_id: 6d1b36164cb4d2170423c47a92065485
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 491 characters]

key_value_pairs:
  {"name": "ScO", "basis": "tier2", "relativistic": 0.0, "relaxed": true, "calculator_version": 81213.0, "xc": "PBE", "project": "tmfp06d", "frequency": 972.86488082813366, "time": 2321.4381499290466}


unique_id: 984b31c62f6b436077fac5f35c74c448
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 491 characters]

key_value_pairs:
  {"name": "Ti", "basis": "tier2", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "xc": "PBE", "project": "tmfp06d", "time": 76.358366966247559}


unique_id: 15f6db19ecc18411f1306157b777cf35
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 491 characters]

key_value_pairs:
  {"name": "CrF", "basis": "tier2", "relativistic": 0.0, "relaxed": true, "calculator_version": 81213.0, "xc": "PBE", "project": "tmfp06d", "frequency": 638.52288142004284, "time": 18686.137036085129}


unique_id: fcbe167ac22e464f8aeb8ff3cb5bb484
username: dulak
data: null
key_value_pairs:
  {"project": "tmfp06d", "name": "TiF", "calculator_version": 81213.0, "relativistic": 0.0, "basis": "tier2", "xc": "PBE"}


unique_id: 4e869d534772d157da752bb1b783f1b4
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 491 characters]

key_value_pairs:
  {"name": "CrN", "basis": "tier2", "relativistic": 0.0, "relaxed": true, "calculator_version": 81213.0, "xc": "PBE", "project": "tmfp06d", "frequency": 1030.1749965508398, "time": 18360.75807094574}


unique_id: dbfba92218940b213d05151615261d99
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 491 characters]

key_value_pairs:
  {"name": "Ti2", "basis": "tier2", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "xc": "PBE", "project": "tmfp06d", "frequency": 399.60106205993219, "time": 1156.1802508831024}


unique_id: 646df9ec03ba7446e8ce8635d91c71c3
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 491 characters]

key_value_pairs:
  {"name": "Ti2", "basis": "tier2", "relativistic": 0.0, "relaxed": true, "calculator_version": 81213.0, "xc": "PBE", "project": "tmfp06d", "frequency": 600.78908311568921, "time": 1175.6898410320282}


unique_id: 17179e20431f8e93da5ee7321d01bdb6
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 491 characters]

key_value_pairs:
  {"name": "TiH", "basis": "tier2", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "xc": "PBE", "project": "tmfp06d", "frequency": 1518.7817015988771, "time": 2799.3476679325104}


unique_id: fe8dd41d1615dd61c90c991403a28673
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 491 characters]

key_value_pairs:
  {"name": "TiH", "basis": "tier2", "relativistic": 0.0, "relaxed": true, "calculator_version": 81213.0, "xc": "PBE", "project": "tmfp06d", "frequency": 1552.5904965369475, "time": 1555.5987219810486}


unique_id: 5a30e4aba98aab3d31a4cb05d0266a03
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 491 characters]

key_value_pairs:
  {"name": "V", "basis": "tier2", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "xc": "PBE", "project": "tmfp06d", "time": 573.44892811775208}


unique_id: 7ea9f964e9420325b0d9aa8c1196c969
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 491 characters]

key_value_pairs:
  {"name": "V2", "basis": "tier2", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "xc": "PBE", "project": "tmfp06d", "frequency": 592.39528421793375, "time": 1291.8752799034119}


unique_id: 6422f9c65fc6d5ee7963a040aee6e37f
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 491 characters]

key_value_pairs:
  {"name": "V2", "basis": "tier2", "relativistic": 0.0, "relaxed": true, "calculator_version": 81213.0, "xc": "PBE", "project": "tmfp06d", "frequency": 656.58267685921055, "time": 1266.8829050064087}


unique_id: 2b61c1d1f0800aea024de5d8ee91789c
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 491 characters]

key_value_pairs:
  {"name": "TiN", "basis": "tier2", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "xc": "PBE", "project": "tmfp06d", "frequency": 1105.6803954786319, "time": 12365.757050991058}


unique_id: a386c5849713f713ed9ea3ed9456bc2e
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 491 characters]

key_value_pairs:
  {"name": "TiN", "basis": "tier2", "relativistic": 0.0, "relaxed": true, "calculator_version": 81213.0, "xc": "PBE", "project": "tmfp06d", "frequency": 1101.8802083621711, "time": 9942.9723191261292}


unique_id: 1dd283e7d614703e17264284d3b77c34
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 470 characters]

key_value_pairs:
  {"name": "Zn", "basis": "tier2", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "xc": "PBE", "project": "tmfp06d", "time": 2.1600809097290039}


unique_id: 108cd0ee6943c7034622a88d805e223a
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 470 characters]

key_value_pairs:
  {"name": "Zn2", "basis": "tier2", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "xc": "PBE", "project": "tmfp06d", "frequency": 238.70626209316072, "time": 80.280001163482666}


unique_id: 869ef667ea7db239ca15591e104528e1
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 470 characters]

key_value_pairs:
  {"name": "Zn2", "basis": "tier2", "relativistic": 0.0, "relaxed": true, "calculator_version": 81213.0, "xc": "PBE", "project": "tmfp06d", "frequency": 51.352689090069376, "time": 123.88187098503113}


unique_id: afe38f57ee4690d4e03d7dd7a32e9510
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 470 characters]

key_value_pairs:
  {"name": "ZnO", "basis": "tier2", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "xc": "PBE", "project": "tmfp06d", "frequency": 709.67301213760652, "time": 141.28910803794861}


unique_id: 683f6f5c2b7e7afd6910a0c7c5e7bd65
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 470 characters]

key_value_pairs:
  {"name": "ZnO", "basis": "tier2", "relativistic": 0.0, "relaxed": true, "calculator_version": 81213.0, "xc": "PBE", "project": "tmfp06d", "frequency": 753.0806783181763, "time": 133.90695810317993}


unique_id: 757f52ea60075e582cd04a9cc351149c
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 491 characters]

key_value_pairs:
  {"name": "NiH", "basis": "tier2", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "xc": "PBE", "project": "tmfp06d", "frequency": 1926.6573258137112, "time": 43605.685725927353}


unique_id: 44ac2561271a195780d2d9047bc2c030
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 491 characters]

key_value_pairs:
  {"name": "VO", "basis": "tier2", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "xc": "PBE", "project": "tmfp06d", "frequency": 1009.9344547898266, "time": 18251.71889090538}


unique_id: a06d2bb5f5b3b90a56dcc07551cb5277
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 491 characters]

key_value_pairs:
  {"name": "VO", "basis": "tier2", "relativistic": 0.0, "relaxed": true, "calculator_version": 81213.0, "xc": "PBE", "project": "tmfp06d", "frequency": 1019.2505212450035, "time": 13797.905372858047}


unique_id: 11d9485e313cab43cc4ae4cd8dd1211e
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 491 characters]

key_value_pairs:
  {"name": "NiH", "basis": "tier2", "relativistic": 0.0, "relaxed": true, "calculator_version": 81213.0, "xc": "PBE", "project": "tmfp06d", "frequency": 1955.2295174951043, "time": 49400.386209011078}


unique_id: 4f460ebb8c2ddcf4afb8728550151b56
username: dulak
calculator: aims
data: null
calculator_parameters:
  {"charge_mix_param": 0.00050000000000000001, "sc_iter_limit": 19000, "KS_method": "elpa", "relativistic": "none", "xc": "pbe", "override_illconditioning": true, "species_dir": "/home/niflheim2/dulak/projects/dcdft/aims/tier2", "sc_accuracy_eev": 0.0001, "sc_accuracy_rho": 0.002, "sc_accuracy_forces": 0.001, "occupation_type": ["gaussian", 1.0000000000000001e-05], "spin": "collinear", "basis_threshold": 5.0000000000000002e-05, "override_relativity": true}

key_value_pairs:
  {"name": "Co", "basis": "tier2", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "xc": "PBE", "project": "tmfp06d", "time": 119.82247304916382}


unique_id: 4fb32f4a3f78cf731f72e4e969dc92f2
username: dulak
calculator: aims
data: null
calculator_parameters:
  {"charge_mix_param": 0.00050000000000000001, "sc_iter_limit": 19000, "KS_method": "elpa", "relativistic": "none", "xc": "pbe", "override_illconditioning": true, "species_dir": "/home/niflheim2/dulak/projects/dcdft/aims/tier2", "sc_accuracy_eev": 0.0001, "sc_accuracy_rho": 0.002, "sc_accuracy_forces": 0.001, "occupation_type": ["gaussian", 1.0000000000000001e-05], "spin": "collinear", "basis_threshold": 5.0000000000000002e-05, "override_relativity": true}

key_value_pairs:
  {"name": "Fe", "basis": "tier2", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "xc": "PBE", "project": "tmfp06d", "time": 760.64245581626892}


unique_id: 23fcdf1a34b8289a7efdc1ca1f6cd3fe
username: dulak
calculator: aims
data: null
calculator_parameters:
  {"charge_mix_param": 0.00050000000000000001, "sc_iter_limit": 19000, "KS_method": "elpa", "relativistic": "none", "xc": "pbe", "override_illconditioning": true, "species_dir": "/home/niflheim2/dulak/projects/dcdft/aims/tier2", "sc_accuracy_eev": 0.001, "sc_accuracy_rho": 0.0001, "sc_accuracy_forces": 0.001, "occupation_type": ["gaussian", 1.0000000000000001e-05], "spin": "collinear", "basis_threshold": 5.0000000000000002e-05, "override_relativity": true}

key_value_pairs:
  {"name": "Co2", "basis": "tier2", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "xc": "PBE", "project": "tmfp06d", "frequency": 384.08888550752408, "time": 1079.1191639900208}


unique_id: 68cfcd25be5f5c05f3d06bce04c0301f
username: dulak
calculator: aims
data: null
calculator_parameters:
  {"charge_mix_param": 0.00050000000000000001, "sc_iter_limit": 19000, "KS_method": "elpa", "relativistic": "none", "xc": "pbe", "override_illconditioning": true, "species_dir": "/home/niflheim2/dulak/projects/dcdft/aims/tier2", "sc_accuracy_eev": 0.002, "sc_accuracy_rho": 0.002, "sc_accuracy_forces": 0.001, "occupation_type": ["gaussian", 1.0000000000000001e-05], "spin": "collinear", "basis_threshold": 5.0000000000000002e-05, "override_relativity": true}

key_value_pairs:
  {"name": "FeO", "basis": "tier2", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "xc": "PBE", "project": "tmfp06d", "frequency": 928.1709030187759, "time": 1438.7882258892059}


unique_id: 3d7f07edf14d6e307e24e20e955de6e6
username: dulak
calculator: aims
data: null
calculator_parameters:
  {"charge_mix_param": 0.00050000000000000001, "sc_iter_limit": 19000, "KS_method": "elpa", "relativistic": "none", "xc": "pbe", "override_illconditioning": true, "species_dir": "/home/niflheim2/dulak/projects/dcdft/aims/tier2", "sc_accuracy_eev": 0.001, "sc_accuracy_rho": 0.0001, "sc_accuracy_forces": 0.001, "occupation_type": ["gaussian", 1.0000000000000001e-05], "spin": "collinear", "basis_threshold": 5.0000000000000002e-05, "override_relativity": true}

key_value_pairs:
  {"name": "Co2", "basis": "tier2", "relativistic": 0.0, "relaxed": true, "calculator_version": 81213.0, "xc": "PBE", "project": "tmfp06d", "frequency": 388.9852012541109, "time": 2321.5983490943909}


unique_id: 7adfe7e7970f147fb52b6b97bf32b2ff
username: dulak
data: null
key_value_pairs:
  {"project": "tmfp06d", "name": "Mn2", "calculator_version": 81213.0, "relativistic": 0.0, "basis": "tier2", "xc": "PBE"}


unique_id: dd16319b9a0526544eef963aaad2778d
username: dulak
calculator: aims
data: null
calculator_parameters:
  {"charge_mix_param": 0.00050000000000000001, "sc_iter_limit": 19000, "KS_method": "elpa", "relativistic": "none", "xc": "pbe", "override_illconditioning": true, "species_dir": "/home/niflheim2/dulak/projects/dcdft/aims/tier2", "sc_accuracy_eev": 0.002, "sc_accuracy_rho": 0.002, "sc_accuracy_forces": 0.001, "occupation_type": ["gaussian", 1.0000000000000001e-05], "spin": "collinear", "basis_threshold": 5.0000000000000002e-05, "override_relativity": true}

key_value_pairs:
  {"name": "CoO", "basis": "tier2", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "xc": "PBE", "project": "tmfp06d", "frequency": 864.12340184136667, "time": 5345.0853369235992}


unique_id: 6b11d762cc2036c2c92127d6ad6d508c
username: dulak
calculator: aims
data: null
calculator_parameters:
  {"charge_mix_param": 0.00050000000000000001, "sc_iter_limit": 19000, "KS_method": "elpa", "relativistic": "none", "xc": "pbe", "override_illconditioning": true, "species_dir": "/home/niflheim2/dulak/projects/dcdft/aims/tier2", "sc_accuracy_eev": 0.002, "sc_accuracy_rho": 0.002, "sc_accuracy_forces": 0.001, "occupation_type": ["gaussian", 1.0000000000000001e-05], "spin": "collinear", "basis_threshold": 5.0000000000000002e-05, "override_relativity": true}

key_value_pairs:
  {"name": "FeF", "basis": "tier2", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "xc": "PBE", "project": "tmfp06d", "frequency": 581.09926507281432, "time": 6389.8887548446655}


unique_id: 1c32b4ad83c8595610132d16f0adebc1
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 457 characters]

key_value_pairs:
  {"name": "CrO", "basis": "tier2", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "xc": "PBE", "project": "tmfp06d", "frequency": 630.86555420655338, "time": 8447.1090989112854}


unique_id: c7e83587a0d70dbdbea9cbcd74d30696
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 457 characters]

key_value_pairs:
  {"name": "FeO", "basis": "tier2", "relativistic": 0.0, "relaxed": true, "calculator_version": 81213.0, "xc": "PBE", "project": "tmfp06d", "frequency": 1022.0244639635503, "time": 15345.322319030762}


unique_id: 63ad9234e2bc4b4e8d2261c652b00cf7
username: dulak
data: null
key_value_pairs:
  {"project": "tmfp06d", "name": "MnH", "calculator_version": 81213.0, "relativistic": 0.0, "basis": "tier2", "xc": "PBE"}


unique_id: 1d0181e9b3704f502008ddd7bf820583
username: dulak
calculator: aims
data: null
calculator_parameters:
  {"charge_mix_param": 0.00050000000000000001, "sc_iter_limit": 19000, "KS_method": "elpa", "relativistic": "none", "xc": "pbe", "override_illconditioning": true, "species_dir": "/home/niflheim2/dulak/projects/dcdft/aims/tier2", "sc_accuracy_eev": 0.001, "sc_accuracy_rho": 0.0001, "sc_accuracy_forces": 0.001, "occupation_type": ["gaussian", 1.0000000000000001e-05], "spin": "collinear", "basis_threshold": 5.0000000000000002e-05, "override_relativity": true}

key_value_pairs:
  {"name": "MnH", "basis": "tier2", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "xc": "PBE", "project": "tmfp06d", "frequency": 2383.235510206272, "time": 1892.4923288822174}


unique_id: 92978e09395f4c64ed6382246d6bf12d
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 457 characters]

key_value_pairs:
  {"name": "FeF", "basis": "tier2", "relativistic": 0.0, "relaxed": true, "calculator_version": 81213.0, "xc": "PBE", "project": "tmfp06d", "frequency": 710.85212034199515, "time": 13734.066111087799}


unique_id: 48fbf9ca704efb2c4dc25a8ec2bd6935
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 458 characters]

key_value_pairs:
  {"name": "Ni2", "basis": "tier2", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "xc": "PBE", "project": "tmfp06d", "frequency": 341.95759687416194, "time": 1211.4345529079437}


unique_id: 18616af0e56edf6da5f7e74abc76bf9b
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 458 characters]

key_value_pairs:
  {"name": "Ni2", "basis": "tier2", "relativistic": 0.0, "relaxed": true, "calculator_version": 81213.0, "xc": "PBE", "project": "tmfp06d", "frequency": 318.07888172467165, "time": 3896.4093520641327}


unique_id: cb80f94d63f05bf1f6b858a0c23db4cd
username: dulak
data: null
key_value_pairs:
  {"project": "tmfp06d", "name": "ScF", "calculator_version": 81213.0, "relativistic": 0.0, "basis": "tier2", "xc": "PBE"}


unique_id: 7974d8dbeac19d3e1bcf9225a3df1533
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 457 characters]

key_value_pairs:
  {"name": "CoO", "basis": "tier2", "relativistic": 0.0, "relaxed": true, "calculator_version": 81213.0, "xc": "PBE", "project": "tmfp06d", "frequency": 857.8339420904033, "time": 35669.520639896393}


unique_id: eeff1f8b80f2b61aa871675b7bb2fb36
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 457 characters]

key_value_pairs:
  {"name": "TiO", "basis": "tier2", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "xc": "PBE", "project": "tmfp06d", "frequency": 1072.1836024611089, "time": 10725.357995986938}


unique_id: 3113c6057b7130885cb3ddf0a58ef5c1
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 457 characters]

key_value_pairs:
  {"name": "TiO", "basis": "tier2", "relativistic": 0.0, "relaxed": true, "calculator_version": 81213.0, "xc": "PBE", "project": "tmfp06d", "frequency": 1016.8117493250452, "time": 26392.5521941185}


unique_id: eecb25ee71dbbbc83c4880d661a75021
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 457 characters]

key_value_pairs:
  {"name": "CrO", "basis": "tier2", "relativistic": 0.0, "relaxed": true, "calculator_version": 81213.0, "xc": "PBE", "project": "tmfp06d", "frequency": 898.7219855501902, "time": 71010.282346963882}


unique_id: e4cb30c0b0cf136c20297e17cfed4d2b
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 457 characters]

key_value_pairs:
  {"name": "VN", "basis": "tier2", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "xc": "PBE", "project": "tmfp06d", "frequency": 1066.8376698160814, "time": 24696.770185947418}


unique_id: 70acefbd5390b8dd35a17a58f23b81c0
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 457 characters]

key_value_pairs:
  {"name": "VN", "basis": "tier2", "relativistic": 0.0, "relaxed": true, "calculator_version": 81213.0, "xc": "PBE", "project": "tmfp06d", "frequency": 1019.531601398689, "time": 227254.97444415092}


unique_id: 6ddce11b7ca2f12aedfa31773af0e169
username: dulak
calculator: gpaw
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 700, "relativistic": 0.0, "relaxed": false, "potentials": "gpaw", "xc": "PBE", "potentials_version": 0.90000000000000002, "project": "tmfp06d", "time": 641.98815202713013, "calculator_version": "0.10.0.11364", "name": "H"}


unique_id: 35391a71091c2b6eb584f9d92031e6b6
username: dulak
calculator: gpaw
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 700, "relativistic": 0.0, "relaxed": false, "potentials": "gpaw", "xc": "PBE", "potentials_version": 0.90000000000000002, "project": "tmfp06d", "time": 463.05157709121704, "calculator_version": "0.10.0.11364", "name": "N"}


unique_id: 9ead60edf9fabaff53c8625a9cced9f9
username: dulak
calculator: gpaw
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 700, "relativistic": 0.0, "relaxed": false, "potentials": "gpaw", "xc": "PBE", "potentials_version": 0.90000000000000002, "project": "tmfp06d", "time": 326.25209403038025, "calculator_version": "0.10.0.11364", "name": "O"}


unique_id: 3fae80e46f2da81512f4592e8d551a25
username: dulak
calculator: gpaw
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 700, "relativistic": 0.0, "relaxed": false, "potentials": "gpaw", "xc": "PBE", "potentials_version": 0.90000000000000002, "project": "tmfp06d", "time": 324.99293804168701, "calculator_version": "0.10.0.11364", "name": "F"}


unique_id: 753b159f23700eba075de3fd655a0dd7
username: dulak
calculator: gpaw
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 700, "relativistic": 0.0, "relaxed": false, "potentials": "gpaw", "xc": "PBE", "potentials_version": 0.90000000000000002, "project": "tmfp06d", "time": 292.9856870174408, "calculator_version": "0.10.0.11364", "name": "Ca"}


unique_id: ce72c886b5b609fb0d20f71db4fd7b7c
username: dulak
calculator: gpaw
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 700, "relativistic": 0.0, "relaxed": false, "potentials": "gpaw", "xc": "PBE", "potentials_version": 0.90000000000000002, "calculator_version": "0.10.0.11364", "project": "tmfp06d", "frequency": 70.689673899295101, "time": 8513.9016389846802, "name": "Ca2"}


unique_id: 8f93f024d72f89006b22cfb5693fcf72
username: dulak
calculator: gpaw
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 700, "relativistic": 0.0, "relaxed": false, "potentials": "gpaw", "xc": "PBE", "potentials_version": 0.90000000000000002, "calculator_version": "0.10.0.11364", "project": "tmfp06d", "frequency": 765.30244289327209, "time": 6392.6505410671234, "name": "CaO"}


unique_id: bf3afc53fe7956e3131a1150ea32b34f
username: dulak
calculator: gpaw
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 700, "relativistic": 0.0, "relaxed": false, "potentials": "gpaw", "xc": "PBE", "potentials_version": 0.90000000000000002, "calculator_version": "0.10.0.11364", "project": "tmfp06d", "frequency": 1233.9527675396851, "time": 13315.627056837082, "name": "CaH"}


unique_id: 74c382e38426ae1adda2cd45879b7ce4
username: dulak
calculator: gpaw
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 700, "relativistic": 0.0, "relaxed": true, "potentials": "gpaw", "xc": "PBE", "potentials_version": 0.90000000000000002, "calculator_version": "0.10.0.11364", "project": "tmfp06d", "frequency": 764.47811184850696, "time": 5865.8559420108795, "name": "CaO"}


unique_id: f817c4992cffb7d1a55e53a3d2d15039
username: dulak
calculator: gpaw
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 700, "relativistic": 0.0, "relaxed": true, "potentials": "gpaw", "xc": "PBE", "potentials_version": 0.90000000000000002, "calculator_version": "0.10.0.11364", "project": "tmfp06d", "frequency": 94.074693050354128, "time": 11842.63095998764, "name": "Ca2"}


unique_id: 88b6bd00c68919c2a9561c4e972c1a14
username: dulak
calculator: gpaw
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 700, "relativistic": 0.0, "relaxed": false, "potentials": "gpaw", "xc": "PBE", "potentials_version": 0.90000000000000002, "project": "tmfp06d", "time": 441.53230094909668, "calculator_version": "0.10.0.11364", "name": "Cr"}


unique_id: f795aec6cccf4a7199770515d22b170c
username: dulak
calculator: gpaw
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 700, "relativistic": 0.0, "relaxed": true, "potentials": "gpaw", "xc": "PBE", "potentials_version": 0.90000000000000002, "calculator_version": "0.10.0.11364", "project": "tmfp06d", "frequency": 1290.2949870859848, "time": 13287.184558153152, "name": "CaH"}


unique_id: 6ad7a1d1de435984283fe131c144bb19
username: dulak
calculator: gpaw
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 700, "relativistic": 0.0, "relaxed": false, "potentials": "gpaw", "xc": "PBE", "potentials_version": 0.90000000000000002, "project": "tmfp06d", "time": 688.359778881073, "calculator_version": "0.10.0.11364", "name": "Cu"}


unique_id: 13ae58520c75f0847bc7c5596dbbae35
username: dulak
calculator: gpaw
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 700, "relativistic": 0.0, "relaxed": false, "potentials": "gpaw", "xc": "PBE", "potentials_version": 0.90000000000000002, "calculator_version": "0.10.0.11364", "project": "tmfp06d", "frequency": 711.06675980068258, "time": 15016.395909070969, "name": "CrF"}


unique_id: 132c4e4192c0d2bc39c88be835ff5313
username: dulak
calculator: gpaw
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 700, "relativistic": 0.0, "relaxed": false, "potentials": "gpaw", "xc": "PBE", "potentials_version": 0.90000000000000002, "calculator_version": "0.10.0.11364", "project": "tmfp06d", "frequency": 660.64087949543875, "time": 4325.828488111496, "name": "CuF"}


unique_id: 98fb00eddb0547d32c47e31e5f538fb0
username: dulak
calculator: gpaw
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 700, "relativistic": 0.0, "relaxed": false, "potentials": "gpaw", "xc": "PBE", "potentials_version": 0.90000000000000002, "calculator_version": "0.10.0.11364", "project": "tmfp06d", "frequency": 275.92796031016206, "time": 4892.7022018432617, "name": "Cu2"}


unique_id: 9179343bc06259c66004e816b36dd401
username: dulak
calculator: gpaw
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 700, "relativistic": 0.0, "relaxed": false, "potentials": "gpaw", "xc": "PBE", "potentials_version": 0.90000000000000002, "calculator_version": "0.10.0.11364", "project": "tmfp06d", "frequency": 1678.2547554397149, "time": 11687.621058940887, "name": "CrH"}


unique_id: 96e69ff65aeb1a27cff6a2dc3ced1d3d
username: dulak
calculator: gpaw
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 700, "relativistic": 0.0, "relaxed": false, "potentials": "gpaw", "xc": "PBE", "potentials_version": 0.90000000000000002, "calculator_version": "0.10.0.11364", "project": "tmfp06d", "frequency": 986.37175423069687, "time": 12550.906019926071, "name": "CrN"}


unique_id: e0c70128de35da9bce0dc5a59b5d1342
username: dulak
calculator: gpaw
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 700, "relativistic": 0.0, "relaxed": true, "potentials": "gpaw", "xc": "PBE", "potentials_version": 0.90000000000000002, "calculator_version": "0.10.0.11364", "project": "tmfp06d", "frequency": 598.22641160080695, "time": 4834.530433177948, "name": "CuF"}


unique_id: f71d2547cfb388718f5e7af26001f5d5
username: dulak
calculator: gpaw
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 700, "relativistic": 0.0, "relaxed": true, "potentials": "gpaw", "xc": "PBE", "potentials_version": 0.90000000000000002, "calculator_version": "0.10.0.11364", "project": "tmfp06d", "frequency": 254.74947642524904, "time": 5146.5007128715515, "name": "Cu2"}


unique_id: 229970f79e208026517e5d7ef418a1d0
username: dulak
calculator: gpaw
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 700, "relativistic": 0.0, "relaxed": false, "potentials": "gpaw", "xc": "PBE", "potentials_version": 0.90000000000000002, "calculator_version": "0.10.0.11364", "project": "tmfp06d", "frequency": 2005.3533148998752, "time": 3313.7309939861298, "name": "CuH"}


unique_id: 5ee94136dae2bc3685a28f67f6abb24e
username: dulak
calculator: gpaw
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 700, "relativistic": 0.0, "relaxed": true, "potentials": "gpaw", "xc": "PBE", "potentials_version": 0.90000000000000002, "calculator_version": "0.10.0.11364", "project": "tmfp06d", "frequency": 1651.211360899078, "time": 10937.887183904648, "name": "CrH"}


unique_id: 96c8f10696f70d682afb6fd1786019ce
username: dulak
calculator: gpaw
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 700, "relativistic": 0.0, "relaxed": true, "potentials": "gpaw", "xc": "PBE", "potentials_version": 0.90000000000000002, "calculator_version": "0.10.0.11364", "project": "tmfp06d", "frequency": 1923.1271823308957, "time": 3405.7885630130768, "name": "CuH"}


unique_id: 85d9224e03e7e78307e350b1b50094a3
username: dulak
calculator: gpaw
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 700, "relativistic": 0.0, "relaxed": true, "potentials": "gpaw", "xc": "PBE", "potentials_version": 0.90000000000000002, "calculator_version": "0.10.0.11364", "project": "tmfp06d", "frequency": 646.86319115765491, "time": 15193.084657907486, "name": "CrF"}


unique_id: d627c40fb169252c7a4d84cfdc6059f0
username: dulak
calculator: gpaw
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 700, "relativistic": 0.0, "relaxed": false, "potentials": "gpaw", "xc": "PBE", "potentials_version": 0.90000000000000002, "calculator_version": "0.10.0.11364", "project": "tmfp06d", "frequency": 388.08389994425511, "time": 42673.372314929962, "name": "Co2"}


unique_id: 54cb3ca8dfcb49308ee55807c1f45335
username: dulak
calculator: gpaw
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 700, "relativistic": 0.0, "relaxed": true, "potentials": "gpaw", "xc": "PBE", "potentials_version": 0.90000000000000002, "calculator_version": "0.10.0.11364", "project": "tmfp06d", "frequency": 949.1578332723974, "time": 15372.972769021988, "name": "CrN"}


unique_id: ce70d018913c438175ca7e001cd5f4a4
username: dulak
calculator: gpaw
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 700, "relativistic": 0.0, "relaxed": false, "potentials": "gpaw", "xc": "PBE", "potentials_version": 0.90000000000000002, "calculator_version": "0.10.0.11364", "project": "tmfp06d", "frequency": 689.94625724208674, "time": 14596.4209420681, "name": "FeF"}


unique_id: fc1af332bd2919cb451871aacc5adc3d
username: dulak
calculator: gpaw
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 700, "relativistic": 0.0, "relaxed": false, "potentials": "gpaw", "xc": "PBE", "potentials_version": 0.90000000000000002, "calculator_version": "0.10.0.11364", "project": "tmfp06d", "frequency": 388.1372803071327, "time": 26823.6637570858, "name": "Fe2"}


unique_id: a50d802ca3d69437e7fc3b547de4972c
username: dulak
calculator: gpaw
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 700, "relativistic": 0.0, "relaxed": false, "potentials": "gpaw", "xc": "PBE", "potentials_version": 0.90000000000000002, "calculator_version": "0.10.0.11364", "project": "tmfp06d", "frequency": 708.71571074017982, "time": 36154.7600440979, "name": "CuO"}


unique_id: 4330ecbfaf29f7773a06003ae5a49f72
username: dulak
calculator: gpaw
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 700, "relativistic": 0.0, "relaxed": true, "potentials": "gpaw", "xc": "PBE", "potentials_version": 0.90000000000000002, "calculator_version": "0.10.0.11364", "project": "tmfp06d", "frequency": 649.04973255140385, "time": 14147.785187959671, "name": "FeF"}


unique_id: b6ad5690e4f651fd346dfe463e13856e
username: dulak
calculator: gpaw
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 700, "relativistic": 0.0, "relaxed": false, "potentials": "gpaw", "xc": "PBE", "potentials_version": 0.90000000000000002, "calculator_version": "0.10.0.11364", "project": "tmfp06d", "frequency": 1760.2596336738616, "time": 29029.675208091736, "name": "FeH"}


unique_id: cafb1f4205f6796a71c9beb27e767cd4
username: dulak
calculator: gpaw
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 700, "relativistic": 0.0, "relaxed": true, "potentials": "gpaw", "xc": "PBE", "potentials_version": 0.90000000000000002, "calculator_version": "0.10.0.11364", "project": "tmfp06d", "frequency": 387.83292451443208, "time": 48696.300705909729, "name": "Co2"}


unique_id: 3b9414bba19bcbb8f984a3ead792908a
username: dulak
calculator: gpaw
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 700, "relativistic": 0.0, "relaxed": true, "potentials": "gpaw", "xc": "PBE", "potentials_version": 0.90000000000000002, "calculator_version": "0.10.0.11364", "project": "tmfp06d", "frequency": 396.7021204613593, "time": 26652.440937995911, "name": "Fe2"}


unique_id: a1eb9c57f1620387c248262297595683
username: dulak
calculator: gpaw
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 700, "relativistic": 0.0, "relaxed": false, "potentials": "gpaw", "xc": "PBE", "potentials_version": 0.90000000000000002, "project": "tmfp06d", "time": 568.88201808929443, "calculator_version": "0.10.0.11364", "name": "K"}


unique_id: d1f274658e5f0c79fc524981fbfbf433
username: dulak
calculator: gpaw
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 700, "relativistic": 0.0, "relaxed": false, "potentials": "gpaw", "xc": "PBE", "potentials_version": 0.90000000000000002, "calculator_version": "0.10.0.11364", "project": "tmfp06d", "frequency": 411.39600706663748, "time": 4082.3763048648834, "name": "KF"}


unique_id: 1137043c99dda1532eca2c35807aa667
username: dulak
calculator: gpaw
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 700, "relativistic": 0.0, "relaxed": false, "potentials": "gpaw", "xc": "PBE", "potentials_version": 0.90000000000000002, "calculator_version": "0.10.0.11364", "project": "tmfp06d", "frequency": 88.177914480055961, "time": 4962.4368200302124, "name": "K2"}


unique_id: aadcabb13789abcd8a0b2ce21922f4de
username: dulak
calculator: gpaw
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 700, "relativistic": 0.0, "relaxed": true, "potentials": "gpaw", "xc": "PBE", "potentials_version": 0.90000000000000002, "calculator_version": "0.10.0.11364", "project": "tmfp06d", "frequency": 1802.9032661138701, "time": 22338.673341989517, "name": "FeH"}


unique_id: b8241cd90bfffc2068ac5a89301d6fb2
username: dulak
calculator: gpaw
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 700, "relativistic": 0.0, "relaxed": false, "potentials": "gpaw", "xc": "PBE", "potentials_version": 0.90000000000000002, "calculator_version": "0.10.0.11364", "project": "tmfp06d", "frequency": 942.64187259810967, "time": 3665.9936189651489, "name": "KH"}


unique_id: 57737f8c22753ad05ec5d45f83e13f9f
username: dulak
calculator: gpaw
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 700, "relativistic": 0.0, "relaxed": true, "potentials": "gpaw", "xc": "PBE", "potentials_version": 0.90000000000000002, "calculator_version": "0.10.0.11364", "project": "tmfp06d", "frequency": 412.11841242137456, "time": 4358.4593188762665, "name": "KF"}


unique_id: 4666888c71abc2c8e8f028f392ca60de
username: dulak
calculator: gpaw
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 700, "relativistic": 0.0, "relaxed": true, "potentials": "gpaw", "xc": "PBE", "potentials_version": 0.90000000000000002, "calculator_version": "0.10.0.11364", "project": "tmfp06d", "frequency": 81.576556796881619, "time": 5799.0323989391327, "name": "K2"}


unique_id: baa8dc1fc29e5537ad8727fe90892406
username: dulak
calculator: gpaw
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 700, "relativistic": 0.0, "relaxed": true, "potentials": "gpaw", "xc": "PBE", "potentials_version": 0.90000000000000002, "calculator_version": "0.10.0.11364", "project": "tmfp06d", "frequency": 949.78607061137575, "time": 3697.8665988445282, "name": "KH"}


unique_id: 8eb4197cb398bac7faac2a8c45329219
username: dulak
calculator: gpaw
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 700, "relativistic": 0.0, "relaxed": true, "potentials": "gpaw", "xc": "PBE", "potentials_version": 0.90000000000000002, "calculator_version": "0.10.0.11364", "project": "tmfp06d", "frequency": 563.38030764213852, "time": 45902.358196973801, "name": "CuO"}


unique_id: f8c322b380cff7173bf3682bb87008fc
username: dulak
calculator: gpaw
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 700, "relativistic": 0.0, "relaxed": false, "potentials": "gpaw", "xc": "PBE", "potentials_version": 0.90000000000000002, "calculator_version": "0.10.0.11364", "project": "tmfp06d", "frequency": 1485.1927585526132, "time": 11840.859704017639, "name": "MnH"}


unique_id: 809e6dbc8b50fb6bb23d1b23a5ebc99a
username: dulak
calculator: gpaw
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 700, "relativistic": 0.0, "relaxed": true, "potentials": "gpaw", "xc": "PBE", "potentials_version": 0.90000000000000002, "calculator_version": "0.10.0.11364", "project": "tmfp06d", "frequency": 1533.6739562602145, "time": 11170.236027956009, "name": "MnH"}


unique_id: bee7bdf5222f8c6645204c22ddc0c157
username: dulak
data: null
key_value_pairs:
  {"name": "Ni", "relativistic": 0.0, "calculator_version": "0.10.0.11364", "xc": "PBE", "potentials_version": 0.90000000000000002, "project": "tmfp06d", "potentials": "gpaw", "pw": 700}


unique_id: 4d9bffaec4efb1c6960b607ffa44ff54
username: dulak
calculator: gpaw
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 700, "relativistic": 0.0, "relaxed": false, "potentials": "gpaw", "xc": "PBE", "potentials_version": 0.90000000000000002, "calculator_version": "0.10.0.11364", "project": "tmfp06d", "frequency": 844.40904891449975, "time": 15072.276466846466, "name": "MnO"}


unique_id: 6143182a2c5cd99a996b9ca54fa1f349
username: dulak
calculator: gpaw
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 700, "relativistic": 0.0, "relaxed": true, "potentials": "gpaw", "xc": "PBE", "potentials_version": 0.90000000000000002, "calculator_version": "0.10.0.11364", "project": "tmfp06d", "frequency": 891.61001988494945, "time": 14954.463243961334, "name": "MnO"}


unique_id: a9767b82a568d6d8007e80c14667f0d6
username: dulak
calculator: gpaw
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 700, "relativistic": 0.0, "relaxed": false, "potentials": "gpaw", "xc": "PBE", "potentials_version": 0.90000000000000002, "calculator_version": "0.10.0.11364", "project": "tmfp06d", "frequency": 302.25750645184689, "time": 63778.572306156158, "name": "Ni2"}


unique_id: fa3c20795a7012b215cc067f15f6e29b
username: dulak
calculator: gpaw
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 700, "relativistic": 0.0, "relaxed": true, "potentials": "gpaw", "xc": "PBE", "potentials_version": 0.90000000000000002, "calculator_version": "0.10.0.11364", "project": "tmfp06d", "frequency": 321.19024627302338, "time": 43697.477762937546, "name": "Ni2"}


unique_id: 68a4f46ff724681206617d25cec55ead
username: dulak
calculator: gpaw
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 700, "relativistic": 0.0, "relaxed": false, "potentials": "gpaw", "xc": "PBE", "potentials_version": 0.90000000000000002, "project": "tmfp06d", "time": 2118.7161381244659, "calculator_version": "0.10.0.11364", "name": "Sc"}


unique_id: 4df71a29bd010458edef29106405af7e
username: dulak
calculator: gpaw
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 700, "relativistic": 0.0, "relaxed": false, "potentials": "gpaw", "xc": "PBE", "potentials_version": 0.90000000000000002, "calculator_version": "0.10.0.11364", "project": "tmfp06d", "frequency": 858.16383910542572, "time": 14433.790459871292, "name": "NiO"}


unique_id: 2e862d1350db0ae01b1a3d9e1aa575d4
username: dulak
calculator: gpaw
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 700, "relativistic": 0.0, "relaxed": false, "potentials": "gpaw", "xc": "PBE", "potentials_version": 0.90000000000000002, "calculator_version": "0.10.0.11364", "project": "tmfp06d", "frequency": 1550.3985964616577, "time": 5806.0122799873352, "name": "ScH"}


unique_id: 46a6704047f30538bdafafde771cbaa7
username: dulak
calculator: gpaw
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 700, "relativistic": 0.0, "relaxed": true, "potentials": "gpaw", "xc": "PBE", "potentials_version": 0.90000000000000002, "calculator_version": "0.10.0.11364", "project": "tmfp06d", "frequency": 823.49174592720829, "time": 14711.775336027145, "name": "NiO"}


unique_id: 7d423b9229d80660a227d9ad524833aa
username: dulak
calculator: gpaw
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 700, "relativistic": 0.0, "relaxed": true, "potentials": "gpaw", "xc": "PBE", "potentials_version": 0.90000000000000002, "calculator_version": "0.10.0.11364", "project": "tmfp06d", "frequency": 1589.8591197193539, "time": 6186.7786729335785, "name": "ScH"}


unique_id: 721d63bd63884e408d005bbcd9453e48
username: dulak
calculator: gpaw
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 700, "relativistic": 0.0, "relaxed": false, "potentials": "gpaw", "xc": "PBE", "potentials_version": 0.90000000000000002, "calculator_version": "0.10.0.11364", "project": "tmfp06d", "frequency": 892.89391608475341, "time": 9297.9880368709564, "name": "ScN"}


unique_id: 4791816b1831617de0c9704f3095c46b
username: dulak
calculator: gpaw
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 700, "relativistic": 0.0, "relaxed": false, "potentials": "gpaw", "xc": "PBE", "potentials_version": 0.90000000000000002, "calculator_version": "0.10.0.11364", "project": "tmfp06d", "frequency": 956.39358735700841, "time": 20908.421467065811, "name": "ScO"}


unique_id: d186565b53e5d468d0bce9c57ecacd99
username: dulak
calculator: gpaw
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 700, "relativistic": 0.0, "relaxed": true, "potentials": "gpaw", "xc": "PBE", "potentials_version": 0.90000000000000002, "calculator_version": "0.10.0.11364", "project": "tmfp06d", "frequency": 929.03865398354321, "time": 23211.214869022369, "name": "ScN"}


unique_id: 73dd2479a19640b0611d7b35907923a8
username: dulak
calculator: gpaw
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 700, "relativistic": 0.0, "relaxed": true, "potentials": "gpaw", "xc": "PBE", "potentials_version": 0.90000000000000002, "calculator_version": "0.10.0.11364", "project": "tmfp06d", "frequency": 970.53435389699337, "time": 29872.944842100143, "name": "ScO"}


unique_id: 924faa146f32b0900119a8a5ac69904b
username: dulak
calculator: gpaw
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 700, "relativistic": 0.0, "relaxed": false, "potentials": "gpaw", "xc": "PBE", "potentials_version": 0.90000000000000002, "calculator_version": "0.10.0.11364", "project": "tmfp06d", "frequency": 434.423308223878, "time": 17652.562811851501, "name": "Ti2"}


unique_id: 39432293520cc286fd8cefe0fb6e3c6b
username: dulak
calculator: gpaw
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 700, "relativistic": 0.0, "relaxed": true, "potentials": "gpaw", "xc": "PBE", "potentials_version": 0.90000000000000002, "calculator_version": "0.10.0.11364", "project": "tmfp06d", "frequency": 453.10126457125557, "time": 17375.325991153717, "name": "Ti2"}


unique_id: 2847890e2ac351ad2818bffba44d1a3c
username: dulak
calculator: gpaw
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 700, "relativistic": 0.0, "relaxed": false, "potentials": "gpaw", "xc": "PBE", "potentials_version": 0.90000000000000002, "calculator_version": "0.10.0.11364", "project": "tmfp06d", "frequency": 610.93179049000707, "time": 52384.925048112869, "name": "TiF"}


unique_id: 36061b3a2b4b158f3f3f2f5beca638a6
username: dulak
calculator: gpaw
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 700, "relativistic": 0.0, "relaxed": false, "potentials": "gpaw", "xc": "PBE", "potentials_version": 0.90000000000000002, "calculator_version": "0.10.0.11364", "project": "tmfp06d", "frequency": 1018.2093733529788, "time": 14840.403128862381, "name": "TiO"}


unique_id: 645e903e9a97493aa8d9e0ca3bde2e92
username: dulak
calculator: gpaw
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 700, "relativistic": 0.0, "relaxed": true, "potentials": "gpaw", "xc": "PBE", "potentials_version": 0.90000000000000002, "calculator_version": "0.10.0.11364", "project": "tmfp06d", "frequency": 1008.9833780878809, "time": 14619.639778137207, "name": "TiO"}


unique_id: 4d7c9469cf7940a45579351d3fc206a1
username: dulak
calculator: gpaw
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 700, "relativistic": 0.0, "relaxed": false, "potentials": "gpaw", "xc": "PBE", "potentials_version": 0.90000000000000002, "calculator_version": "0.10.0.11364", "project": "tmfp06d", "frequency": 1488.2037483768918, "time": 43822.465141057968, "name": "TiH"}


unique_id: 7b43a41ca429d044317814d7969643b6
username: dulak
calculator: gpaw
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 700, "relativistic": 0.0, "relaxed": false, "potentials": "gpaw", "xc": "PBE", "potentials_version": 0.90000000000000002, "calculator_version": "0.10.0.11364", "project": "tmfp06d", "frequency": 711.81385722355571, "time": 15677.562270879745, "name": "V2"}


unique_id: e7bcdc9cdfb7444c7db706a1f4fb01d0
username: dulak
calculator: gpaw
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 700, "relativistic": 0.0, "relaxed": false, "potentials": "gpaw", "xc": "PBE", "potentials_version": 0.90000000000000002, "calculator_version": "0.10.0.11364", "project": "tmfp06d", "frequency": 1112.9452711870019, "time": 64464.25098490715, "name": "TiN"}


unique_id: 4e36416aba04f513c40a2824de221869
username: dulak
calculator: gpaw
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 700, "relativistic": 0.0, "relaxed": true, "potentials": "gpaw", "xc": "PBE", "potentials_version": 0.90000000000000002, "calculator_version": "0.10.0.11364", "project": "tmfp06d", "frequency": 671.82018098268077, "time": 18161.482697963715, "name": "V2"}


unique_id: 43d9c33ece9e03e2738a22e4a36b81ae
username: dulak
calculator: gpaw
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 700, "relativistic": 0.0, "relaxed": true, "potentials": "gpaw", "xc": "PBE", "potentials_version": 0.90000000000000002, "calculator_version": "0.10.0.11364", "project": "tmfp06d", "frequency": 1550.0645377995791, "time": 72375.600259065628, "name": "TiH"}


unique_id: e122d42c150d72da205fdc63999121d3
username: dulak
calculator: gpaw
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 700, "relativistic": 0.0, "relaxed": false, "potentials": "gpaw", "xc": "PBE", "potentials_version": 0.90000000000000002, "calculator_version": "0.10.0.11364", "project": "tmfp06d", "frequency": 1010.5557436642434, "time": 18166.162369966507, "name": "VO"}


unique_id: 3d2e8ae4367231bc879d0a348cea207b
username: dulak
calculator: gpaw
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 700, "relativistic": 0.0, "relaxed": true, "potentials": "gpaw", "xc": "PBE", "potentials_version": 0.90000000000000002, "calculator_version": "0.10.0.11364", "project": "tmfp06d", "frequency": 659.12003707221083, "time": 154913.7166249752, "name": "TiF"}


unique_id: f11a58edfd50fb421ef90e013bada6b6
username: dulak
calculator: gpaw
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 700, "relativistic": 0.0, "relaxed": true, "potentials": "gpaw", "xc": "PBE", "potentials_version": 0.90000000000000002, "calculator_version": "0.10.0.11364", "project": "tmfp06d", "frequency": 1079.0464936606088, "time": 81990.372509002686, "name": "TiN"}


unique_id: f1f9355803a9dc7cea1f389f7a8ae201
username: dulak
calculator: gpaw
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 700, "relativistic": 0.0, "relaxed": false, "potentials": "gpaw", "xc": "PBE", "potentials_version": 0.90000000000000002, "project": "tmfp06d", "time": 2888.3562891483307, "calculator_version": "0.10.0.11364", "name": "Zn"}


unique_id: 8e422c7610422a79fa6cd93aadb02910
username: dulak
calculator: gpaw
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 700, "relativistic": 0.0, "relaxed": true, "potentials": "gpaw", "xc": "PBE", "potentials_version": 0.90000000000000002, "calculator_version": "0.10.0.11364", "project": "tmfp06d", "frequency": 1007.4458048297541, "time": 24174.459993839264, "name": "VO"}


unique_id: e351e93b51e8277c42092f638ecad663
username: dulak
calculator: gpaw
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 700, "relativistic": 0.0, "relaxed": false, "potentials": "gpaw", "xc": "PBE", "potentials_version": 0.90000000000000002, "calculator_version": "0.10.0.11364", "project": "tmfp06d", "frequency": 239.47436946898819, "time": 9335.7080750465393, "name": "Zn2"}


unique_id: a22ffa6979e9287d24dbf594cce5a3d3
username: dulak
calculator: gpaw
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 700, "relativistic": 0.0, "relaxed": false, "potentials": "gpaw", "xc": "PBE", "potentials_version": 0.90000000000000002, "calculator_version": "0.10.0.11364", "project": "tmfp06d", "frequency": 700.50195118996749, "time": 12527.71336388588, "name": "ZnO"}


unique_id: 70da43ad45738fb95b43cb3632d9a48f
username: dulak
calculator: gpaw
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 700, "relativistic": 0.0, "relaxed": true, "potentials": "gpaw", "xc": "PBE", "potentials_version": 0.90000000000000002, "calculator_version": "0.10.0.11364", "project": "tmfp06d", "frequency": 51.741168095433004, "time": 18229.909210920334, "name": "Zn2"}


unique_id: 28818c88cd3dcb9318b3b65654a3d8d1
username: dulak
calculator: gpaw
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 700, "relativistic": 0.0, "relaxed": true, "potentials": "gpaw", "xc": "PBE", "potentials_version": 0.90000000000000002, "calculator_version": "0.10.0.11364", "project": "tmfp06d", "frequency": 737.63903761714676, "time": 16742.10297703743, "name": "ZnO"}


unique_id: 4062bbb94db1086e3181dba9611a8298
username: dulak
data: null
key_value_pairs:
  {"name": "CoO", "relativistic": 0.0, "calculator_version": "0.10.0.11364", "xc": "PBE", "potentials_version": 0.90000000000000002, "project": "tmfp06d", "potentials": "gpaw", "pw": 700}


unique_id: 9b6bd707d0a74696dddc2d8678884740
username: dulak
data: null
key_value_pairs:
  {"name": "FeO", "relativistic": 0.0, "calculator_version": "0.10.0.11364", "xc": "PBE", "potentials_version": 0.90000000000000002, "project": "tmfp06d", "potentials": "gpaw", "pw": 700}


unique_id: 8d9bb678e5d512999e71c48621a8d4bb
username: dulak
calculator: gpaw
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 700, "relativistic": 0.0, "relaxed": false, "potentials": "gpaw", "xc": "PBE", "potentials_version": 0.90000000000000002, "project": "tmfp06d", "time": 10682.147075891495, "calculator_version": "0.10.0.11364", "name": "Fe"}


unique_id: 756fbf3639076cb30fc52f17691bdea9
username: dulak
data: null
key_value_pairs:
  {"name": "NiH", "relativistic": 0.0, "calculator_version": "0.10.0.11364", "xc": "PBE", "potentials_version": 0.90000000000000002, "project": "tmfp06d", "potentials": "gpaw", "pw": 700}


unique_id: c2b830b15d54fc71931b01cfb3ec5cd8
username: dulak
calculator: gpaw
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 700, "relativistic": 0.0, "relaxed": false, "potentials": "gpaw", "xc": "PBE", "potentials_version": 0.90000000000000002, "project": "tmfp06d", "time": 16659.553739070892, "calculator_version": "0.10.0.11364", "name": "V"}


unique_id: ae7814452dbda0f44dc6698074daf48e
username: dulak
data: null
key_value_pairs:
  {"name": "Co", "relativistic": 0.0, "calculator_version": "0.10.0.11364", "xc": "PBE", "potentials_version": 0.90000000000000002, "project": "tmfp06d", "potentials": "gpaw", "pw": 700}


unique_id: b6e147a62ecd88ab9c27312b065e0a30
username: dulak
data: null
key_value_pairs:
  {"name": "CoH", "relativistic": 0.0, "calculator_version": "0.10.0.11364", "xc": "PBE", "potentials_version": 0.90000000000000002, "project": "tmfp06d", "potentials": "gpaw", "pw": 700}


unique_id: a914da51add7f9b544fda577c3ef0a31
username: dulak
data: null
key_value_pairs:
  {"name": "Cr2", "relativistic": 0.0, "calculator_version": "0.10.0.11364", "xc": "PBE", "potentials_version": 0.90000000000000002, "project": "tmfp06d", "potentials": "gpaw", "pw": 700}


unique_id: 27e5b4051a23457b2edbc18157777c58
username: dulak
data: null
key_value_pairs:
  {"name": "CrO", "relativistic": 0.0, "calculator_version": "0.10.0.11364", "xc": "PBE", "potentials_version": 0.90000000000000002, "project": "tmfp06d", "potentials": "gpaw", "pw": 700}


unique_id: 7266ed1cffe6f5cfa2098b9c77da5b0b
username: dulak
data: null
key_value_pairs:
  {"name": "Mn", "relativistic": 0.0, "calculator_version": "0.10.0.11364", "xc": "PBE", "potentials_version": 0.90000000000000002, "project": "tmfp06d", "potentials": "gpaw", "pw": 700}


unique_id: 283f00864c97203f3565b450971b16b3
username: dulak
calculator: gpaw
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 700, "relativistic": 0.0, "relaxed": false, "potentials": "gpaw", "xc": "PBE", "potentials_version": 0.90000000000000002, "calculator_version": "0.10.0.11364", "project": "tmfp06d", "frequency": 241.61857072087673, "time": 2681.4392230510712, "name": "Cr2"}


unique_id: b3b91a33e66e4db99a822275dd99b24a
username: dulak
data: null
key_value_pairs:
  {"name": "Mn2", "relativistic": 0.0, "calculator_version": "0.10.0.11364", "xc": "PBE", "potentials_version": 0.90000000000000002, "project": "tmfp06d", "potentials": "gpaw", "pw": 700}


unique_id: 2ecacb9856523a00f2de30dcda161689
username: dulak
data: null
key_value_pairs:
  {"name": "Sc2", "relativistic": 0.0, "calculator_version": "0.10.0.11364", "xc": "PBE", "potentials_version": 0.90000000000000002, "project": "tmfp06d", "potentials": "gpaw", "pw": 700}


unique_id: 81fca654f1ac8bffb17b927add53db4f
username: dulak
data: null
key_value_pairs:
  {"name": "ScF", "relativistic": 0.0, "calculator_version": "0.10.0.11364", "xc": "PBE", "potentials_version": 0.90000000000000002, "project": "tmfp06d", "potentials": "gpaw", "pw": 700}


unique_id: 5a4c47b43abc3103f59fb0d8dc1027bd
username: dulak
calculator: gpaw
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 700, "relativistic": 0.0, "relaxed": false, "potentials": "gpaw", "xc": "PBE", "potentials_version": 0.90000000000000002, "calculator_version": "0.10.0.11364", "project": "tmfp06d", "frequency": 559.33864375181349, "time": 21055.335271120071, "name": "CaF"}


unique_id: bb81bfe8d2dc3015a390fd8b20a1c70e
username: dulak
calculator: gpaw
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 700, "relativistic": 0.0, "relaxed": true, "potentials": "gpaw", "xc": "PBE", "potentials_version": 0.90000000000000002, "calculator_version": "0.10.0.11364", "project": "tmfp06d", "frequency": 588.90869753490824, "time": 18525.915548801422, "name": "CaF"}


unique_id: 87eec6398c2464a910a5cfedc4d914e4
username: dulak
data: null
key_value_pairs:
  {"name": "Ti", "relativistic": 0.0, "calculator_version": "0.10.0.11364", "xc": "PBE", "potentials_version": 0.90000000000000002, "project": "tmfp06d", "potentials": "gpaw", "pw": 700}


unique_id: 2b885f10aa29f163948624afb6075a96
username: dulak
data: null
key_value_pairs:
  {"name": "VN", "relativistic": 0.0, "calculator_version": "0.10.0.11364", "xc": "PBE", "potentials_version": 0.90000000000000002, "project": "tmfp06d", "potentials": "gpaw", "pw": 700}


unique_id: 64b807757ee15742f654fe0ef06b2b06
username: dulak
calculator: gpaw
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 700, "relativistic": 1.0, "relaxed": false, "potentials": "gpaw", "xc": "PBE", "potentials_version": 0.90000000000000002, "project": "tmfp06d", "time": 156.85977101325989, "calculator_version": "0.10.0.11364", "name": "Ca"}


unique_id: 2d45b4d75792631a8f5e64c91148294e
username: dulak
data: null
key_value_pairs:
  {"name": "Co2", "relativistic": 1.0, "calculator_version": "0.10.0.11364", "xc": "PBE", "potentials_version": 0.90000000000000002, "project": "tmfp06d", "potentials": "gpaw", "pw": 700}


unique_id: b115c8b3ee045b399bd1b2df65b534a1
username: dulak
calculator: gpaw
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 700, "relativistic": 1.0, "relaxed": false, "potentials": "gpaw", "xc": "PBE", "potentials_version": 0.90000000000000002, "calculator_version": "0.10.0.11364", "project": "tmfp06d", "frequency": 67.658959240109752, "time": 2448.3284351825714, "name": "Ca2"}


unique_id: 326f0a513dacdc5d9ba5fb8a837e35f0
username: dulak
calculator: gpaw
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 700, "relativistic": 1.0, "relaxed": false, "potentials": "gpaw", "xc": "PBE", "potentials_version": 0.90000000000000002, "calculator_version": "0.10.0.11364", "project": "tmfp06d", "frequency": 763.85741109199967, "time": 2754.2745199203491, "name": "CaO"}


unique_id: 695db7b0ab96923da2186d0b8bc73f5b
username: dulak
calculator: gpaw
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 700, "relativistic": 1.0, "relaxed": true, "potentials": "gpaw", "xc": "PBE", "potentials_version": 0.90000000000000002, "calculator_version": "0.10.0.11364", "project": "tmfp06d", "frequency": 80.778531853835375, "time": 2850.5129089355469, "name": "Ca2"}


unique_id: a0ee194c31ad29bd42990366a4f25c12
username: dulak
data: null
key_value_pairs:
  {"name": "CoH", "relativistic": 1.0, "calculator_version": "0.10.0.11364", "xc": "PBE", "potentials_version": 0.90000000000000002, "project": "tmfp06d", "potentials": "gpaw", "pw": 700}


unique_id: a013de8399bb3bf63728bd984538fdf1
username: dulak
calculator: gpaw
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 700, "relativistic": 1.0, "relaxed": true, "potentials": "gpaw", "xc": "PBE", "potentials_version": 0.90000000000000002, "calculator_version": "0.10.0.11364", "project": "tmfp06d", "frequency": 760.16456480691659, "time": 2850.7043731212616, "name": "CaO"}


unique_id: a19810fdfee48bfe4f16cfbd7b479660
username: dulak
calculator: gpaw
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 700, "relativistic": 1.0, "relaxed": false, "potentials": "gpaw", "xc": "PBE", "potentials_version": 0.90000000000000002, "project": "tmfp06d", "time": 7000.6610441207886, "calculator_version": "0.10.0.11364", "name": "N"}


unique_id: abd031a167153a2f9982a81715100286
username: dulak
data: null
key_value_pairs:
  {"name": "O", "relativistic": 1.0, "calculator_version": "0.10.0.11364", "xc": "PBE", "potentials_version": 0.90000000000000002, "project": "tmfp06d", "potentials": "gpaw", "pw": 700}


unique_id: cd216bd9ff0c61da2ae4022650d44c3c
username: dulak
calculator: gpaw
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 700, "relativistic": 1.0, "relaxed": false, "potentials": "gpaw", "xc": "PBE", "potentials_version": 0.90000000000000002, "project": "tmfp06d", "time": 8305.6781549453735, "calculator_version": "0.10.0.11364", "name": "H"}


unique_id: f3442f9b6439466d90bec6287f1acce2
username: dulak
calculator: gpaw
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 700, "relativistic": 1.0, "relaxed": false, "potentials": "gpaw", "xc": "PBE", "potentials_version": 0.90000000000000002, "project": "tmfp06d", "time": 7430.8765139579773, "calculator_version": "0.10.0.11364", "name": "Cr"}


unique_id: 4cda89394f8238214ed712b6aeb7b47a
username: dulak
data: null
key_value_pairs:
  {"name": "Cr2", "relativistic": 1.0, "calculator_version": "0.10.0.11364", "xc": "PBE", "potentials_version": 0.90000000000000002, "project": "tmfp06d", "potentials": "gpaw", "pw": 700}


unique_id: 85cf0decfad012321b3b11efe55aecba
username: dulak
calculator: gpaw
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 700, "relativistic": 1.0, "relaxed": false, "potentials": "gpaw", "xc": "PBE", "potentials_version": 0.90000000000000002, "calculator_version": "0.10.0.11364", "project": "tmfp06d", "frequency": 234.70701005638358, "time": 2285.7868299484253, "name": "Cr2"}


unique_id: 8c3274db73e8f0aa638f02ca2b31093e
username: dulak
calculator: gpaw
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 700, "relativistic": 1.0, "relaxed": false, "potentials": "gpaw", "xc": "PBE", "potentials_version": 0.90000000000000002, "project": "tmfp06d", "time": 7636.82173204422, "calculator_version": "0.10.0.11364", "name": "F"}


unique_id: d503c2a0c9183f7dbaee47fb0827377a
username: dulak
calculator: gpaw
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 700, "relativistic": 1.0, "relaxed": false, "potentials": "gpaw", "xc": "PBE", "potentials_version": 0.90000000000000002, "calculator_version": "0.10.0.11364", "project": "tmfp06d", "frequency": 563.87564634654893, "time": 20374.549100875854, "name": "CaF"}


unique_id: dd1901271a8d80c55684965155bb76df
username: dulak
calculator: gpaw
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 700, "relativistic": 1.0, "relaxed": false, "potentials": "gpaw", "xc": "PBE", "potentials_version": 0.90000000000000002, "calculator_version": "0.10.0.11364", "project": "tmfp06d", "frequency": 1230.6302294287029, "time": 20449.962985038757, "name": "CaH"}


unique_id: e3e797dbbbb7f1dfcca43fef120b73b9
username: dulak
calculator: gpaw
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 700, "relativistic": 1.0, "relaxed": false, "potentials": "gpaw", "xc": "PBE", "potentials_version": 0.90000000000000002, "project": "tmfp06d", "time": 21254.698674917221, "calculator_version": "0.10.0.11364", "name": "Co"}


unique_id: c2337f5b80a132013b02e1a53208e045
username: dulak
calculator: gpaw
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 700, "relativistic": 1.0, "relaxed": false, "potentials": "gpaw", "xc": "PBE", "potentials_version": 0.90000000000000002, "calculator_version": "0.10.0.11364", "project": "tmfp06d", "frequency": 703.51337105498021, "time": 18694.366141080856, "name": "CrF"}


unique_id: f06398c97dbcb0e9872ccb5ded9f2177
username: dulak
calculator: gpaw
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 700, "relativistic": 1.0, "relaxed": false, "potentials": "gpaw", "xc": "PBE", "potentials_version": 0.90000000000000002, "calculator_version": "0.10.0.11364", "project": "tmfp06d", "frequency": 1689.9881391309741, "time": 15459.93666100502, "name": "CrH"}


unique_id: 9a32f89e74265503c1f0af5ba4d5e280
username: dulak
calculator: gpaw
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 700, "relativistic": 1.0, "relaxed": true, "potentials": "gpaw", "xc": "PBE", "potentials_version": 0.90000000000000002, "calculator_version": "0.10.0.11364", "project": "tmfp06d", "frequency": 587.7806628242032, "time": 20706.274084091187, "name": "CaF"}


unique_id: d00717811ec7e213fc9a9ec190b8678c
username: dulak
calculator: gpaw
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 700, "relativistic": 1.0, "relaxed": true, "potentials": "gpaw", "xc": "PBE", "potentials_version": 0.90000000000000002, "calculator_version": "0.10.0.11364", "project": "tmfp06d", "frequency": 1287.7133991061853, "time": 20666.276432037354, "name": "CaH"}


unique_id: b9f43f5eed53b2f764421f7f047aa4bd
username: dulak
data: null
key_value_pairs:
  {"name": "CrO", "relativistic": 1.0, "calculator_version": "0.10.0.11364", "xc": "PBE", "potentials_version": 0.90000000000000002, "project": "tmfp06d", "potentials": "gpaw", "pw": 700}


unique_id: 5d20db990d527d7e79a1c47c98bbdb0b
username: dulak
calculator: gpaw
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 700, "relativistic": 1.0, "relaxed": false, "potentials": "gpaw", "xc": "PBE", "potentials_version": 0.90000000000000002, "calculator_version": "0.10.0.11364", "project": "tmfp06d", "frequency": 270.47213106409703, "time": 4605.1886899471283, "name": "Cu2"}


unique_id: 37f8dfb41c7cc54d1f094f51e83be853
username: dulak
calculator: gpaw
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 700, "relativistic": 1.0, "relaxed": true, "potentials": "gpaw", "xc": "PBE", "potentials_version": 0.90000000000000002, "calculator_version": "0.10.0.11364", "project": "tmfp06d", "frequency": 1674.8790027820969, "time": 13513.079197883606, "name": "CrH"}


unique_id: f25c3b55b5c3b9e03fba16beda204838
username: dulak
calculator: gpaw
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 700, "relativistic": 1.0, "relaxed": true, "potentials": "gpaw", "xc": "PBE", "potentials_version": 0.90000000000000002, "calculator_version": "0.10.0.11364", "project": "tmfp06d", "frequency": 268.46032850295603, "time": 5007.6783699989319, "name": "Cu2"}


unique_id: 878e51c8cdf6f826b831745ad4f415be
username: dulak
calculator: gpaw
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 700, "relativistic": 1.0, "relaxed": false, "potentials": "gpaw", "xc": "PBE", "potentials_version": 0.90000000000000002, "calculator_version": "0.10.0.11364", "project": "tmfp06d", "frequency": 645.94522790864983, "time": 2147.6628680229187, "name": "CuF"}


unique_id: 1538f2a6fffd6351695651f177468e6d
username: dulak
calculator: gpaw
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 700, "relativistic": 1.0, "relaxed": true, "potentials": "gpaw", "xc": "PBE", "potentials_version": 0.90000000000000002, "calculator_version": "0.10.0.11364", "project": "tmfp06d", "frequency": 616.48765643194986, "time": 2326.4227721691132, "name": "CuF"}


unique_id: f20cd80981923067e7eb9fc37555df39
username: dulak
data: null
key_value_pairs:
  {"name": "CuO", "relativistic": 1.0, "calculator_version": "0.10.0.11364", "xc": "PBE", "potentials_version": 0.90000000000000002, "project": "tmfp06d", "potentials": "gpaw", "pw": 700}


unique_id: 2f7b9f275e9dfa17862cada917de5c43
username: dulak
calculator: gpaw
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 700, "relativistic": 1.0, "relaxed": false, "potentials": "gpaw", "xc": "PBE", "potentials_version": 0.90000000000000002, "calculator_version": "0.10.0.11364", "project": "tmfp06d", "frequency": 1979.9844925510999, "time": 3446.6574709415436, "name": "CuH"}


unique_id: 97776ea3ada1dd2fb562d53eb72f8fa0
username: dulak
calculator: gpaw
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 700, "relativistic": 1.0, "relaxed": false, "potentials": "gpaw", "xc": "PBE", "potentials_version": 0.90000000000000002, "project": "tmfp06d", "time": 14412.341922998428, "calculator_version": "0.10.0.11364", "name": "Cu"}


unique_id: 6de041bcb95db31bbe79d339c0a8feb9
username: dulak
calculator: gpaw
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 700, "relativistic": 1.0, "relaxed": true, "potentials": "gpaw", "xc": "PBE", "potentials_version": 0.90000000000000002, "calculator_version": "0.10.0.11364", "project": "tmfp06d", "frequency": 1994.6698146993144, "time": 3694.4071891307831, "name": "CuH"}


unique_id: ebde23a61d4d74968801592ba956cfa3
username: dulak
calculator: gpaw
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 700, "relativistic": 1.0, "relaxed": false, "potentials": "gpaw", "xc": "PBE", "potentials_version": 0.90000000000000002, "calculator_version": "0.10.0.11364", "project": "tmfp06d", "frequency": 1002.7099701009909, "time": 20199.654672145844, "name": "CrN"}


unique_id: 7503d1c1cbcaa09f463d6b25517d4cca
username: dulak
calculator: gpaw
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 700, "relativistic": 1.0, "relaxed": true, "potentials": "gpaw", "xc": "PBE", "potentials_version": 0.90000000000000002, "calculator_version": "0.10.0.11364", "project": "tmfp06d", "frequency": 658.51168502073108, "time": 25014.807929992676, "name": "CrF"}


unique_id: 43cba612795d067292703880db1f56d7
username: dulak
data: null
key_value_pairs:
  {"name": "FeF", "relativistic": 1.0, "calculator_version": "0.10.0.11364", "xc": "PBE", "potentials_version": 0.90000000000000002, "project": "tmfp06d", "potentials": "gpaw", "pw": 700}


unique_id: 644794e59fe8a2607e18ecdc7b7963c9
username: dulak
calculator: gpaw
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 700, "relativistic": 1.0, "relaxed": false, "potentials": "gpaw", "xc": "PBE", "potentials_version": 0.90000000000000002, "project": "tmfp06d", "time": 20907.125109910965, "calculator_version": "0.10.0.11364", "name": "Fe"}


unique_id: 326b33f6f15ef3ffbfc283e96122e485
username: dulak
data: null
key_value_pairs:
  {"name": "FeH", "relativistic": 1.0, "calculator_version": "0.10.0.11364", "xc": "PBE", "potentials_version": 0.90000000000000002, "project": "tmfp06d", "potentials": "gpaw", "pw": 700}


unique_id: 2b637581b2fada05dfff2de3a45bd069
username: dulak
calculator: gpaw
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 700, "relativistic": 1.0, "relaxed": false, "potentials": "gpaw", "xc": "PBE", "potentials_version": 0.90000000000000002, "calculator_version": "0.10.0.11364", "project": "tmfp06d", "frequency": 849.48537477763466, "time": 93392.63131403923, "name": "CoO"}


unique_id: b3e6c37db6b5b400ec5001e23273afd8
username: dulak
calculator: gpaw
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 700, "relativistic": 1.0, "relaxed": true, "potentials": "gpaw", "xc": "PBE", "potentials_version": 0.90000000000000002, "calculator_version": "0.10.0.11364", "project": "tmfp06d", "frequency": 962.46140577377105, "time": 79454.626551866531, "name": "CrN"}


unique_id: c4af28d14ced73aa5e23716ef4a81602
username: dulak
data: null
key_value_pairs:
  {"name": "FeO", "relativistic": 1.0, "calculator_version": "0.10.0.11364", "xc": "PBE", "potentials_version": 0.90000000000000002, "project": "tmfp06d", "potentials": "gpaw", "pw": 700}


unique_id: 13e6deb693d3b371f2b1e5a09c8fe01c
username: dulak
calculator: gpaw
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 700, "relativistic": 1.0, "relaxed": true, "potentials": "gpaw", "xc": "PBE", "potentials_version": 0.90000000000000002, "calculator_version": "0.10.0.11364", "project": "tmfp06d", "frequency": 897.01490146418018, "time": 73578.200463056564, "name": "CoO"}


unique_id: f3138960067c09f7f0f2dc5788d2efc9
username: dulak
calculator: gpaw
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 700, "relativistic": 1.0, "relaxed": false, "potentials": "gpaw", "xc": "PBE", "potentials_version": 0.90000000000000002, "project": "tmfp06d", "time": 8996.6770598888397, "calculator_version": "0.10.0.11364", "name": "K"}


unique_id: 87191bf5f611e921a34dd9f750b419c3
username: dulak
calculator: gpaw
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 700, "relativistic": 1.0, "relaxed": false, "potentials": "gpaw", "xc": "PBE", "potentials_version": 0.90000000000000002, "calculator_version": "0.10.0.11364", "project": "tmfp06d", "frequency": 98.323230766423151, "time": 2233.9136879444122, "name": "K2"}


unique_id: 1e0396eabd55accae1459254d85a114e
username: dulak
calculator: gpaw
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 700, "relativistic": 1.0, "relaxed": true, "potentials": "gpaw", "xc": "PBE", "potentials_version": 0.90000000000000002, "calculator_version": "0.10.0.11364", "project": "tmfp06d", "frequency": 99.879084001918983, "time": 2674.875303030014, "name": "K2"}


unique_id: edef9e6203f4ccfcea13c061dfe93572
username: dulak
calculator: gpaw
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 700, "relativistic": 1.0, "relaxed": false, "potentials": "gpaw", "xc": "PBE", "potentials_version": 0.90000000000000002, "calculator_version": "0.10.0.11364", "project": "tmfp06d", "frequency": 410.33062411135762, "time": 2106.3616528511047, "name": "KF"}


unique_id: d63918b7aabff262b9b94fa8ced55a34
username: dulak
calculator: gpaw
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 700, "relativistic": 1.0, "relaxed": true, "potentials": "gpaw", "xc": "PBE", "potentials_version": 0.90000000000000002, "calculator_version": "0.10.0.11364", "project": "tmfp06d", "frequency": 412.14145272787482, "time": 2021.1885979175568, "name": "KF"}


unique_id: aa6312b1dfc9d76905d2e7c3d68ee651
username: dulak
calculator: gpaw
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 700, "relativistic": 1.0, "relaxed": false, "potentials": "gpaw", "xc": "PBE", "potentials_version": 0.90000000000000002, "calculator_version": "0.10.0.11364", "project": "tmfp06d", "frequency": 942.8531519959738, "time": 1747.7437679767609, "name": "KH"}


unique_id: de90f0c2634c95a7c32365e18c144ebc
username: dulak
calculator: gpaw
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 700, "relativistic": 1.0, "relaxed": true, "potentials": "gpaw", "xc": "PBE", "potentials_version": 0.90000000000000002, "calculator_version": "0.10.0.11364", "project": "tmfp06d", "frequency": 953.02494830395869, "time": 1655.0755100250244, "name": "KH"}


unique_id: 7f2ac58d5e5ff996454176f4326b8a49
username: dulak
calculator: gpaw
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 700, "relativistic": 1.0, "relaxed": false, "potentials": "gpaw", "xc": "PBE", "potentials_version": 0.90000000000000002, "project": "tmfp06d", "time": 7906.3246691226959, "calculator_version": "0.10.0.11364", "name": "Mn"}


unique_id: 89fbcfc9970db7b2c03d5ac45ad8a682
username: dulak
data: null
key_value_pairs:
  {"name": "Mn2", "relativistic": 1.0, "calculator_version": "0.10.0.11364", "xc": "PBE", "potentials_version": 0.90000000000000002, "project": "tmfp06d", "potentials": "gpaw", "pw": 700}


unique_id: 21bd3b95b4b4dd3c8d070ee63c6fa781
username: dulak
calculator: gpaw
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 700, "relativistic": 1.0, "relaxed": false, "potentials": "gpaw", "xc": "PBE", "potentials_version": 0.90000000000000002, "calculator_version": "0.10.0.11364", "project": "tmfp06d", "frequency": 387.69843515158846, "time": 143513.78536510468, "name": "Fe2"}


unique_id: e821e50288d473b123975522352ac184
username: dulak
calculator: gpaw
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 700, "relativistic": 1.0, "relaxed": false, "potentials": "gpaw", "xc": "PBE", "potentials_version": 0.90000000000000002, "calculator_version": "0.10.0.11364", "project": "tmfp06d", "frequency": 1473.3674610573833, "time": 31623.246912002563, "name": "MnH"}


unique_id: 470800b945eee14928cb9a4588b2422d
username: dulak
calculator: gpaw
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 700, "relativistic": 1.0, "relaxed": true, "potentials": "gpaw", "xc": "PBE", "potentials_version": 0.90000000000000002, "calculator_version": "0.10.0.11364", "project": "tmfp06d", "frequency": 1539.5931816867464, "time": 31691.710995912552, "name": "MnH"}


unique_id: f972242cc407064b89fb0a382091129e
username: dulak
calculator: gpaw
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 700, "relativistic": 1.0, "relaxed": false, "potentials": "gpaw", "xc": "PBE", "potentials_version": 0.90000000000000002, "calculator_version": "0.10.0.11364", "project": "tmfp06d", "frequency": 840.49090967730967, "time": 42299.934587001801, "name": "MnO"}


unique_id: 30c193db6ea41f29073c2577cc754179
username: dulak
calculator: gpaw
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 700, "relativistic": 1.0, "relaxed": true, "potentials": "gpaw", "xc": "PBE", "potentials_version": 0.90000000000000002, "calculator_version": "0.10.0.11364", "project": "tmfp06d", "frequency": 902.00162954465259, "time": 42745.973806858063, "name": "MnO"}


unique_id: b2432bb47209427101f1951455a5adee
username: dulak
data: null
key_value_pairs:
  {"name": "Ni", "relativistic": 1.0, "calculator_version": "0.10.0.11364", "xc": "PBE", "potentials_version": 0.90000000000000002, "project": "tmfp06d", "potentials": "gpaw", "pw": 700}


unique_id: 8721e9c4f3f5ca60917b778209a0337a
username: dulak
calculator: gpaw
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 700, "relativistic": 1.0, "relaxed": true, "potentials": "gpaw", "xc": "PBE", "potentials_version": 0.90000000000000002, "calculator_version": "0.10.0.11364", "project": "tmfp06d", "frequency": 407.42972944620584, "time": 165205.44253778458, "name": "Fe2"}


unique_id: 4652898bdbdea499f926d0d9c9896cf5
username: dulak
calculator: gpaw
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 700, "relativistic": 1.0, "relaxed": false, "potentials": "gpaw", "xc": "PBE", "potentials_version": 0.90000000000000002, "calculator_version": "0.10.0.11364", "project": "tmfp06d", "frequency": 300.22318125036315, "time": 104974.19716691971, "name": "Ni2"}


unique_id: 88b838be536aa6a28415f4b03e92ff21
username: dulak
calculator: gpaw
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 700, "relativistic": 1.0, "relaxed": true, "potentials": "gpaw", "xc": "PBE", "potentials_version": 0.90000000000000002, "calculator_version": "0.10.0.11364", "project": "tmfp06d", "frequency": 335.21879384502273, "time": 75569.423556089401, "name": "Ni2"}


unique_id: 8638a78475cf2c9776c8d7bd5f748d7f
username: dulak
data: null
key_value_pairs:
  {"name": "NiH", "relativistic": 1.0, "calculator_version": "0.10.0.11364", "xc": "PBE", "potentials_version": 0.90000000000000002, "project": "tmfp06d", "potentials": "gpaw", "pw": 700}


unique_id: bfed32e0146b47212f3586e5025a7185
username: dulak
data: null
key_value_pairs:
  {"name": "Sc", "relativistic": 1.0, "calculator_version": "0.10.0.11364", "xc": "PBE", "potentials_version": 0.90000000000000002, "project": "tmfp06d", "potentials": "gpaw", "pw": 700}


unique_id: d9b1276661be3ed4ebccb2ec453267c7
username: dulak
data: null
key_value_pairs:
  {"name": "Sc2", "relativistic": 1.0, "calculator_version": "0.10.0.11364", "xc": "PBE", "potentials_version": 0.90000000000000002, "project": "tmfp06d", "potentials": "gpaw", "pw": 700}


unique_id: caee69e080c237631fcd7c1a186f0c8c
username: dulak
calculator: gpaw
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 700, "relativistic": 1.0, "relaxed": false, "potentials": "gpaw", "xc": "PBE", "potentials_version": 0.90000000000000002, "calculator_version": "0.10.0.11364", "project": "tmfp06d", "frequency": 710.27796971131181, "time": 3709.3009729385376, "name": "ScF"}


unique_id: e95ef2446495e7ce1e76e4fcbf1d92f5
username: dulak
calculator: gpaw
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 700, "relativistic": 1.0, "relaxed": true, "potentials": "gpaw", "xc": "PBE", "potentials_version": 0.90000000000000002, "calculator_version": "0.10.0.11364", "project": "tmfp06d", "frequency": 714.04108049236879, "time": 3819.0047078132629, "name": "ScF"}


unique_id: 2cdff8293c586bb3bd9c6b6e1fbd716a
username: dulak
calculator: gpaw
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 700, "relativistic": 1.0, "relaxed": false, "potentials": "gpaw", "xc": "PBE", "potentials_version": 0.90000000000000002, "calculator_version": "0.10.0.11364", "project": "tmfp06d", "frequency": 1552.4681751271696, "time": 2620.2679929733276, "name": "ScH"}


unique_id: 59dfae8a90912e026d5501e15567bb53
username: dulak
calculator: gpaw
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 700, "relativistic": 1.0, "relaxed": true, "potentials": "gpaw", "xc": "PBE", "potentials_version": 0.90000000000000002, "calculator_version": "0.10.0.11364", "project": "tmfp06d", "frequency": 1595.8074814596887, "time": 3016.0545570850372, "name": "ScH"}


unique_id: ede74b04ec370e1ed432c508196d3246
username: dulak
calculator: gpaw
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 700, "relativistic": 1.0, "relaxed": false, "potentials": "gpaw", "xc": "PBE", "potentials_version": 0.90000000000000002, "calculator_version": "0.10.0.11364", "project": "tmfp06d", "frequency": 848.45019974783725, "time": 22778.006388902664, "name": "NiO"}


unique_id: 329c096fac229f30203980c13c9943b7
username: dulak
calculator: gpaw
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 700, "relativistic": 1.0, "relaxed": false, "potentials": "gpaw", "xc": "PBE", "potentials_version": 0.90000000000000002, "calculator_version": "0.10.0.11364", "project": "tmfp06d", "frequency": 896.43582477154871, "time": 4332.5979330539703, "name": "ScN"}


unique_id: 24d02ddaada0059b9f596a72e8dfb39e
username: dulak
calculator: gpaw
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 700, "relativistic": 1.0, "relaxed": true, "potentials": "gpaw", "xc": "PBE", "potentials_version": 0.90000000000000002, "calculator_version": "0.10.0.11364", "project": "tmfp06d", "frequency": 920.95905112372839, "time": 5153.0057940483093, "name": "ScN"}


unique_id: 79c0a577e716091d68a19201db519e29
username: dulak
data: null
key_value_pairs:
  {"name": "Ti", "relativistic": 1.0, "calculator_version": "0.10.0.11364", "xc": "PBE", "potentials_version": 0.90000000000000002, "project": "tmfp06d", "potentials": "gpaw", "pw": 700}


unique_id: 383b94093297444ce09d53b1ba4fff6a
username: dulak
calculator: gpaw
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 700, "relativistic": 1.0, "relaxed": true, "potentials": "gpaw", "xc": "PBE", "potentials_version": 0.90000000000000002, "calculator_version": "0.10.0.11364", "project": "tmfp06d", "frequency": 853.54280058648249, "time": 15851.875946044922, "name": "NiO"}


unique_id: 80df4d3b3b4e8100c17fe1bc232a9109
username: dulak
calculator: gpaw
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 700, "relativistic": 1.0, "relaxed": false, "potentials": "gpaw", "xc": "PBE", "potentials_version": 0.90000000000000002, "calculator_version": "0.10.0.11364", "project": "tmfp06d", "frequency": 957.50008273640378, "time": 26707.239907026291, "name": "ScO"}


unique_id: e27b173dd5d8adefec1df64e509ab7bc
username: dulak
data: null
key_value_pairs:
  {"name": "TiF", "relativistic": 1.0, "calculator_version": "0.10.0.11364", "xc": "PBE", "potentials_version": 0.90000000000000002, "project": "tmfp06d", "potentials": "gpaw", "pw": 700}


unique_id: 5b84818cd40982ddb8dbbc8a780ca0c2
username: dulak
data: null
key_value_pairs:
  {"name": "TiN", "relativistic": 1.0, "calculator_version": "0.10.0.11364", "xc": "PBE", "potentials_version": 0.90000000000000002, "project": "tmfp06d", "potentials": "gpaw", "pw": 700}


unique_id: efbf6552fa586b68639024e49ce73bf4
username: dulak
data: null
key_value_pairs:
  {"name": "V", "relativistic": 1.0, "calculator_version": "0.10.0.11364", "xc": "PBE", "potentials_version": 0.90000000000000002, "project": "tmfp06d", "potentials": "gpaw", "pw": 700}


unique_id: 999f514136226587015c0df22287b48f
username: dulak
calculator: gpaw
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 700, "relativistic": 1.0, "relaxed": false, "potentials": "gpaw", "xc": "PBE", "potentials_version": 0.90000000000000002, "calculator_version": "0.10.0.11364", "project": "tmfp06d", "frequency": 447.92768684851137, "time": 23524.920320034027, "name": "Ti2"}


unique_id: fd21980af846fee61a8f5e20a85937bd
username: dulak
calculator: gpaw
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 700, "relativistic": 1.0, "relaxed": true, "potentials": "gpaw", "xc": "PBE", "potentials_version": 0.90000000000000002, "calculator_version": "0.10.0.11364", "project": "tmfp06d", "frequency": 968.36341692998997, "time": 24999.960551977158, "name": "ScO"}


unique_id: e047ff029c0743e306674ab9d485bf0a
username: dulak
data: null
key_value_pairs:
  {"name": "VN", "relativistic": 1.0, "calculator_version": "0.10.0.11364", "xc": "PBE", "potentials_version": 0.90000000000000002, "project": "tmfp06d", "potentials": "gpaw", "pw": 700}


unique_id: 48b79e2c0cb1249b0e297f6968a19729
username: dulak
calculator: gpaw
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 700, "relativistic": 1.0, "relaxed": true, "potentials": "gpaw", "xc": "PBE", "potentials_version": 0.90000000000000002, "calculator_version": "0.10.0.11364", "project": "tmfp06d", "frequency": 452.76522154500094, "time": 19272.429885864258, "name": "Ti2"}


unique_id: ea5d6c1e0e6ac782c40ba6b9f25bd247
username: dulak
calculator: gpaw
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 700, "relativistic": 1.0, "relaxed": false, "potentials": "gpaw", "xc": "PBE", "potentials_version": 0.90000000000000002, "calculator_version": "0.10.0.11364", "project": "tmfp06d", "frequency": 1018.708903236971, "time": 37220.8435151577, "name": "TiO"}


unique_id: c6a86f5b465e40b7e5010d89c87f6a22
username: dulak
calculator: gpaw
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 700, "relativistic": 1.0, "relaxed": false, "potentials": "gpaw", "xc": "PBE", "potentials_version": 0.90000000000000002, "calculator_version": "0.10.0.11364", "project": "tmfp06d", "frequency": 714.12465849655189, "time": 47479.16706609726, "name": "V2"}


unique_id: 458e04325b2e0df9d08559ff3ea9dbdd
username: dulak
calculator: gpaw
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 700, "relativistic": 1.0, "relaxed": false, "potentials": "gpaw", "xc": "PBE", "potentials_version": 0.90000000000000002, "calculator_version": "0.10.0.11364", "project": "tmfp06d", "frequency": 1009.7663157571407, "time": 21136.374955892563, "name": "VO"}


unique_id: 44444f718bb3e9e3737a51d687e13449
username: dulak
calculator: gpaw
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 700, "relativistic": 1.0, "relaxed": true, "potentials": "gpaw", "xc": "PBE", "potentials_version": 0.90000000000000002, "calculator_version": "0.10.0.11364", "project": "tmfp06d", "frequency": 1016.5228030150216, "time": 20165.567230939865, "name": "VO"}


unique_id: c4293dda20a456883c73acce7d7e978b
username: dulak
calculator: gpaw
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 700, "relativistic": 1.0, "relaxed": true, "potentials": "gpaw", "xc": "PBE", "potentials_version": 0.90000000000000002, "calculator_version": "0.10.0.11364", "project": "tmfp06d", "frequency": 1015.2497166555401, "time": 35714.512984037399, "name": "TiO"}


unique_id: dea6eb22bce9179d788f0f196470ab25
username: dulak
calculator: gpaw
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 700, "relativistic": 1.0, "relaxed": false, "potentials": "gpaw", "xc": "PBE", "potentials_version": 0.90000000000000002, "project": "tmfp06d", "time": 441.112056016922, "calculator_version": "0.10.0.11364", "name": "Zn"}


unique_id: bda279b1c4587ef1c878bd77d8c736b5
username: dulak
calculator: gpaw
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 700, "relativistic": 1.0, "relaxed": false, "potentials": "gpaw", "xc": "PBE", "potentials_version": 0.90000000000000002, "calculator_version": "0.10.0.11364", "project": "tmfp06d", "frequency": 690.59361595730195, "time": 2893.4598870277405, "name": "ZnO"}


unique_id: e395891f95a1599dac94cfe82cfd8cc9
username: dulak
calculator: gpaw
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 700, "relativistic": 1.0, "relaxed": false, "potentials": "gpaw", "xc": "PBE", "potentials_version": 0.90000000000000002, "calculator_version": "0.10.0.11364", "project": "tmfp06d", "frequency": 232.94405225232236, "time": 6284.3391740322113, "name": "Zn2"}


unique_id: e9a0c12d4549766065ac02701eb7b4ad
username: dulak
calculator: gpaw
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 700, "relativistic": 1.0, "relaxed": true, "potentials": "gpaw", "xc": "PBE", "potentials_version": 0.90000000000000002, "calculator_version": "0.10.0.11364", "project": "tmfp06d", "frequency": 755.22261398592639, "time": 3446.7636499404907, "name": "ZnO"}


unique_id: babb2545546948e66dccc43933215fcf
username: dulak
calculator: gpaw
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 700, "relativistic": 1.0, "relaxed": true, "potentials": "gpaw", "xc": "PBE", "potentials_version": 0.90000000000000002, "calculator_version": "0.10.0.11364", "project": "tmfp06d", "frequency": 50.368071094010936, "time": 9786.4995319843292, "name": "Zn2"}


unique_id: f918302eb01a49a3ef5eeb2941145d82
username: dulak
calculator: gpaw
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 700, "relativistic": 1.0, "relaxed": true, "potentials": "gpaw", "xc": "PBE", "potentials_version": 0.90000000000000002, "calculator_version": "0.10.0.11364", "project": "tmfp06d", "frequency": 669.76507074096764, "time": 49981.559653997421, "name": "V2"}


unique_id: ed447f22ad5273ea86e0e2cd31d37e31
username: dulak
calculator: gpaw
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 700, "relativistic": 1.0, "relaxed": false, "potentials": "gpaw", "xc": "PBE", "potentials_version": 0.90000000000000002, "calculator_version": "0.10.0.11364", "project": "tmfp06d", "frequency": 1483.6279389371418, "time": 114390.68116497993, "name": "TiH"}


unique_id: 6f32831e43d744883b540b2a2252e68a
username: dulak
calculator: gpaw
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 700, "relativistic": 1.0, "relaxed": false, "potentials": "gpaw", "xc": "PBE", "potentials_version": 0.90000000000000002, "calculator_version": "0.10.0.11364", "project": "tmfp06d", "frequency": 604.00722783623075, "time": 150969.91593599319, "name": "TiF"}


unique_id: 1caf4ed3466be38c30f26352470d19f0
username: dulak
calculator: gpaw
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 700, "relativistic": 1.0, "relaxed": true, "potentials": "gpaw", "xc": "PBE", "potentials_version": 0.90000000000000002, "calculator_version": "0.10.0.11364", "project": "tmfp06d", "frequency": 1568.3569784044669, "time": 286450.64680790901, "name": "TiH"}


unique_id: 3609188cd179d619e9822a6526e18987
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": false, "potentials": "pslib", "xc": "PBE", "potentials_version": "0.3.1", "project": "tmfp06d", "time": 249.91802501678467, "calculator_version": 5.0999999999999996, "dw": 800, "name": "Ca"}


unique_id: beda9ef7bed6bbbe5873e3599fa636ce
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": false, "potentials": "pslib", "xc": "PBE", "potentials_version": "0.3.1", "calculator_version": 5.0999999999999996, "project": "tmfp06d", "frequency": 93.299114198162314, "time": 17095.059542894363, "dw": 800, "name": "Ca2"}


unique_id: 96a36f7733ff12c2b9d29fa13aeae46b
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": true, "potentials": "pslib", "xc": "PBE", "potentials_version": "0.3.1", "calculator_version": 5.0999999999999996, "project": "tmfp06d", "frequency": 96.909254607623623, "time": 21460.237212181091, "dw": 800, "name": "Ca2"}


unique_id: 63d030beb152cb2d03aaad8aca0180e3
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": false, "potentials": "pslib", "xc": "PBE", "potentials_version": "0.3.1", "calculator_version": 5.0999999999999996, "project": "tmfp06d", "frequency": 557.20387620071847, "time": 32702.988723993301, "dw": 800, "name": "CaF"}


unique_id: 9ef27c440c896a81553583e6ad233565
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": true, "potentials": "pslib", "xc": "PBE", "potentials_version": "0.3.1", "calculator_version": 5.0999999999999996, "project": "tmfp06d", "frequency": 595.59769125779178, "time": 44001.761835813522, "dw": 800, "name": "CaF"}


unique_id: 55e458736a71e3773c9c604666d928bb
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": false, "potentials": "pslib", "xc": "PBE", "potentials_version": "0.3.1", "calculator_version": 5.0999999999999996, "project": "tmfp06d", "frequency": 1216.2183355281697, "time": 26893.288156032562, "dw": 800, "name": "CaH"}


unique_id: aa14b3f8bd013e031a8e871689068c47
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": true, "potentials": "pslib", "xc": "PBE", "potentials_version": "0.3.1", "calculator_version": 5.0999999999999996, "project": "tmfp06d", "frequency": 1315.3519956763732, "time": 35123.445935964584, "dw": 800, "name": "CaH"}


unique_id: 92ac8dc81c34b213aebeb32e8eb0f7c3
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": false, "potentials": "pslib", "xc": "PBE", "potentials_version": "0.3.1", "calculator_version": 5.0999999999999996, "project": "tmfp06d", "frequency": 757.73856605440665, "time": 18769.577629089355, "dw": 800, "name": "CaO"}


unique_id: 8e475efd52b20bde957129f9866ce1e4
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": true, "potentials": "pslib", "xc": "PBE", "potentials_version": "0.3.1", "calculator_version": 5.0999999999999996, "project": "tmfp06d", "frequency": 770.39376701130561, "time": 20618.719640016556, "dw": 800, "name": "CaO"}


unique_id: 8c9e668837a41a44a53bcfd98f8f9afc
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": false, "potentials": "pslib", "xc": "PBE", "potentials_version": "0.3.1", "project": "tmfp06d", "time": 951.203204870224, "calculator_version": 5.0999999999999996, "dw": 800, "name": "Cr"}


unique_id: c3851a5c1ed49c7653eb4a35e55d3eb9
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": false, "potentials": "pslib", "xc": "PBE", "potentials_version": "0.3.1", "project": "tmfp06d", "time": 5823.9274790287018, "calculator_version": 5.0999999999999996, "dw": 800, "name": "Co"}


unique_id: 992ed0d96e3b680cfdb499f1cb31400f
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": false, "potentials": "pslib", "xc": "PBE", "potentials_version": "0.3.1", "calculator_version": 5.0999999999999996, "project": "tmfp06d", "frequency": 669.01659448438318, "time": 7889.8235988616943, "dw": 800, "name": "Cr2"}


unique_id: fbc32d4580dda84b4f6d203a52586d25
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": false, "potentials": "pslib", "xc": "PBE", "potentials_version": "0.3.1", "calculator_version": 5.0999999999999996, "project": "tmfp06d", "frequency": 1635.6692531324218, "time": 9938.4153509140015, "dw": 800, "name": "CrH"}


unique_id: d75707fd288fd164e39663ed235fa53d
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": false, "potentials": "pslib", "xc": "PBE", "potentials_version": "0.3.1", "calculator_version": 5.0999999999999996, "project": "tmfp06d", "frequency": 388.80721809274979, "time": 13603.15625500679, "dw": 800, "name": "Co2"}


unique_id: 293ce7b5fbebab439f51a860cabc5890
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": false, "potentials": "pslib", "xc": "PBE", "potentials_version": "0.3.1", "calculator_version": 5.0999999999999996, "project": "tmfp06d", "frequency": 659.51599115194676, "time": 13495.443605184555, "dw": 800, "name": "CrF"}


unique_id: 8f8642304f33167b4c1d5cfa91cfe631
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": false, "potentials": "pslib", "xc": "PBE", "potentials_version": "0.3.1", "calculator_version": 5.0999999999999996, "project": "tmfp06d", "frequency": 1821.9559295419851, "time": 15620.024616003036, "dw": 800, "name": "CoH"}


unique_id: 8f726598ef83f44168e53c73a170da32
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": true, "potentials": "pslib", "xc": "PBE", "potentials_version": "0.3.1", "calculator_version": 5.0999999999999996, "project": "tmfp06d", "frequency": 807.37506686099641, "time": 9239.60400390625, "dw": 800, "name": "Cr2"}


unique_id: d9799cbbd13184475a49702a7e7c25b0
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": false, "potentials": "pslib", "xc": "PBE", "potentials_version": "0.3.1", "project": "tmfp06d", "time": 1168.7345130443573, "calculator_version": 5.0999999999999996, "dw": 800, "name": "Cu"}


unique_id: 992266f1a300417bbdd2d13b15666cc2
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": false, "potentials": "pslib", "xc": "PBE", "potentials_version": "0.3.1", "calculator_version": 5.0999999999999996, "project": "tmfp06d", "frequency": 991.27224001447291, "time": 15240.585062026978, "dw": 800, "name": "CrN"}


unique_id: dd9b46b64ad6b066b302f6e057daa4e2
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": true, "potentials": "pslib", "xc": "PBE", "potentials_version": "0.3.1", "calculator_version": 5.0999999999999996, "project": "tmfp06d", "frequency": 1665.4826973034294, "time": 10955.74162197113, "dw": 800, "name": "CrH"}


unique_id: 223961c70cdb76aad56c949df2886632
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": false, "potentials": "pslib", "xc": "PBE", "potentials_version": "0.3.1", "calculator_version": 5.0999999999999996, "project": "tmfp06d", "frequency": 892.18032229584583, "time": 28699.239887952805, "dw": 800, "name": "CoO"}


unique_id: 22aa533ac39e6c91d913ad1d7be64752
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": true, "potentials": "pslib", "xc": "PBE", "potentials_version": "0.3.1", "calculator_version": 5.0999999999999996, "project": "tmfp06d", "frequency": 648.57875951142751, "time": 14310.450225830078, "dw": 800, "name": "CrF"}


unique_id: beaafc7a9c3810637f2be658120f5a50
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": false, "potentials": "pslib", "xc": "PBE", "potentials_version": "0.3.1", "calculator_version": 5.0999999999999996, "project": "tmfp06d", "frequency": 280.41511632084763, "time": 9166.8386619091034, "dw": 800, "name": "Cu2"}


unique_id: 3834bbe23b4171a25613107cc66a8bbe
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": true, "potentials": "pslib", "xc": "PBE", "potentials_version": "0.3.1", "calculator_version": 5.0999999999999996, "project": "tmfp06d", "frequency": 406.31157742649123, "time": 16405.71200799942, "dw": 800, "name": "Co2"}


unique_id: 32040a0bbd3edee1c78d4e410f6d6701
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": false, "potentials": "pslib", "xc": "PBE", "potentials_version": "0.3.1", "calculator_version": 5.0999999999999996, "project": "tmfp06d", "frequency": 929.74932675294417, "time": 13522.490144968033, "dw": 800, "name": "CrO"}


unique_id: 38f03e31ac9181481e64cb7f35cef6c2
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": false, "potentials": "pslib", "xc": "PBE", "potentials_version": "0.3.1", "calculator_version": 5.0999999999999996, "project": "tmfp06d", "frequency": 626.14669243726041, "time": 8632.2901620864868, "dw": 800, "name": "CuF"}


unique_id: 4e1ef9d38ccebe921ef6e17ac58cb2a9
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": true, "potentials": "pslib", "xc": "PBE", "potentials_version": "0.3.1", "calculator_version": 5.0999999999999996, "project": "tmfp06d", "frequency": 1913.6327253199938, "time": 16709.827497005463, "dw": 800, "name": "CoH"}


unique_id: 1d9790b13cf0b8e01da5b574979d1930
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": false, "potentials": "pslib", "xc": "PBE", "potentials_version": "0.3.1", "project": "tmfp06d", "time": 294.64497709274292, "calculator_version": 5.0999999999999996, "dw": 800, "name": "F"}


unique_id: 7f83c628621c1e4224301852c317a23c
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": false, "potentials": "pslib", "xc": "PBE", "potentials_version": "0.3.1", "calculator_version": 5.0999999999999996, "project": "tmfp06d", "frequency": 1951.4739897666882, "time": 7074.5862538814545, "dw": 800, "name": "CuH"}


unique_id: 9193a38a689f2dcfa7779c90aa515c2a
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": false, "potentials": "pslib", "xc": "PBE", "potentials_version": "0.3.1", "project": "tmfp06d", "time": 4904.7555689811707, "calculator_version": 5.0999999999999996, "dw": 800, "name": "Fe"}


unique_id: 23774ae549b13add01c91defa1ded330
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": true, "potentials": "pslib", "xc": "PBE", "potentials_version": "0.3.1", "calculator_version": 5.0999999999999996, "project": "tmfp06d", "frequency": 1037.1661575327735, "time": 18975.860347986221, "dw": 800, "name": "CrN"}


unique_id: c570293b183d0787b3193ac6332bc5d9
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": false, "potentials": "pslib", "xc": "PBE", "potentials_version": "0.3.1", "project": "tmfp06d", "time": 153.14100313186646, "calculator_version": 5.0999999999999996, "dw": 800, "name": "H"}


unique_id: 36ee8aab408654891fe2a771d1c1647a
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": true, "potentials": "pslib", "xc": "PBE", "potentials_version": "0.3.1", "calculator_version": 5.0999999999999996, "project": "tmfp06d", "frequency": 264.71572884838025, "time": 10667.548084974289, "dw": 800, "name": "Cu2"}


unique_id: 4a06f7bd85f2a5dac6eca13e559a2f98
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": false, "potentials": "pslib", "xc": "PBE", "potentials_version": "0.3.1", "project": "tmfp06d", "time": 994.1886191368103, "calculator_version": 5.0999999999999996, "dw": 800, "name": "K"}


unique_id: cb50ff1a6f979bca9935b191d4c4085f
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": false, "potentials": "pslib", "xc": "PBE", "potentials_version": "0.3.1", "calculator_version": 5.0999999999999996, "project": "tmfp06d", "frequency": 651.39224612207852, "time": 12204.258510112762, "dw": 800, "name": "CuO"}


unique_id: 1a124d1d58985eed8bc72bb8acf6c4c6
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": true, "potentials": "pslib", "xc": "PBE", "potentials_version": "0.3.1", "calculator_version": 5.0999999999999996, "project": "tmfp06d", "frequency": 1977.8839981437955, "time": 7506.7592508792877, "dw": 800, "name": "CuH"}


unique_id: 3e131bac423c63aeb1dfd7a4a7cb3d09
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": false, "potentials": "pslib", "xc": "PBE", "potentials_version": "0.3.1", "project": "tmfp06d", "time": 690.47268795967102, "calculator_version": 5.0999999999999996, "dw": 800, "name": "Mn"}


unique_id: 44257081be66d820fef1cc99da219a7f
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": true, "potentials": "pslib", "xc": "PBE", "potentials_version": "0.3.1", "calculator_version": 5.0999999999999996, "project": "tmfp06d", "frequency": 616.08047751464142, "time": 14174.068239927292, "dw": 800, "name": "CuF"}


unique_id: 9e032bb319e0c91a8da22bf970f9eb70
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": true, "potentials": "pslib", "xc": "PBE", "potentials_version": "0.3.1", "calculator_version": 5.0999999999999996, "project": "tmfp06d", "frequency": 936.15614534208453, "time": 14611.851965904236, "dw": 800, "name": "CrO"}


unique_id: e042a4cee46f3db5c853dedde9a397e7
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": false, "potentials": "pslib", "xc": "PBE", "potentials_version": "0.3.1", "calculator_version": 5.0999999999999996, "project": "tmfp06d", "frequency": 410.67521974877104, "time": 7048.7532339096069, "dw": 800, "name": "KF"}


unique_id: 548374cb6505bcdcadca7052afb53f87
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": false, "potentials": "pslib", "xc": "PBE", "potentials_version": "0.3.1", "calculator_version": 5.0999999999999996, "project": "tmfp06d", "frequency": 645.97492654475536, "time": 14263.902294874191, "dw": 800, "name": "FeF"}


unique_id: 716d3246019346837c0539b0709ac3de
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": false, "potentials": "pslib", "xc": "PBE", "potentials_version": "0.3.1", "calculator_version": 5.0999999999999996, "project": "tmfp06d", "frequency": 397.69105580906052, "time": 16305.049287080765, "dw": 800, "name": "Fe2"}


unique_id: 3d9c78059450afbf8cd1bcbe63245ce8
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": false, "potentials": "pslib", "xc": "PBE", "potentials_version": "0.3.1", "calculator_version": 5.0999999999999996, "project": "tmfp06d", "frequency": 918.02795209299222, "time": 10114.529557943344, "dw": 800, "name": "KH"}


unique_id: a8632b9f4d68e6b58189f37a73ca182a
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": false, "potentials": "pslib", "xc": "PBE", "potentials_version": "0.3.1", "calculator_version": 5.0999999999999996, "project": "tmfp06d", "frequency": 1496.982947804479, "time": 9654.5796720981598, "dw": 800, "name": "MnH"}


unique_id: 11789a3f0573ed774874ff55a32b6f6a
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": true, "potentials": "pslib", "xc": "PBE", "potentials_version": "0.3.1", "calculator_version": 5.0999999999999996, "project": "tmfp06d", "frequency": 413.69403862684811, "time": 7566.2705399990082, "dw": 800, "name": "KF"}


unique_id: 2036f2a7d40cdab7aabbc983e6a77b53
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": true, "potentials": "pslib", "xc": "PBE", "potentials_version": "0.3.1", "calculator_version": 5.0999999999999996, "project": "tmfp06d", "frequency": 688.41962064732661, "time": 13503.129079818726, "dw": 800, "name": "CuO"}


unique_id: 1c755c5ab9e5c80c35c7e55bb5a39890
username: dulak
data: null
key_value_pairs:
  {"name": "Ni", "relativistic": 1.0, "calculator_version": 5.0999999999999996, "xc": "PBE", "potentials_version": "0.3.1", "project": "tmfp06d", "potentials": "pslib", "dw": 800, "pw": 100}


unique_id: 33bdc5f8c2ae38e31b28f58d0cfcecf1
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": false, "potentials": "pslib", "xc": "PBE", "potentials_version": "0.3.1", "project": "tmfp06d", "time": 237.73148894309998, "calculator_version": 5.0999999999999996, "dw": 800, "name": "N"}


unique_id: 865aa1f3610481da4cf682c233921b50
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": false, "potentials": "pslib", "xc": "PBE", "potentials_version": "0.3.1", "calculator_version": 5.0999999999999996, "project": "tmfp06d", "frequency": 1639.0837838167879, "time": 20979.664242982864, "dw": 800, "name": "FeH"}


unique_id: 809167c8e7bddf20ccf4ab11df84f621
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": false, "potentials": "pslib", "xc": "PBE", "potentials_version": "0.3.1", "calculator_version": 5.0999999999999996, "project": "tmfp06d", "frequency": 160.00879183316525, "time": 17278.992902994156, "dw": 800, "name": "K2"}


unique_id: 638add2be0e58aa2299e0619bcecd0a0
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": false, "potentials": "pslib", "xc": "PBE", "potentials_version": "0.3.1", "calculator_version": 5.0999999999999996, "project": "tmfp06d", "frequency": 910.24063274585035, "time": 21473.428605079651, "dw": 800, "name": "FeO"}


unique_id: c39043db1b31d9dd55828dcb04353e61
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": false, "potentials": "pslib", "xc": "PBE", "potentials_version": "0.3.1", "calculator_version": 5.0999999999999996, "project": "tmfp06d", "frequency": 870.99910053869019, "time": 16680.171512842178, "dw": 800, "name": "MnO"}


unique_id: af5e737843694969c2d0a53d5f5eb240
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": true, "potentials": "pslib", "xc": "PBE", "potentials_version": "0.3.1", "calculator_version": 5.0999999999999996, "project": "tmfp06d", "frequency": 938.53473076525529, "time": 13570.06724691391, "dw": 800, "name": "KH"}


unique_id: 6da60f0df202031194340daa99d8f51f
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": true, "potentials": "pslib", "xc": "PBE", "potentials_version": "0.3.1", "calculator_version": 5.0999999999999996, "project": "tmfp06d", "frequency": 1516.5176517702751, "time": 11668.618734121323, "dw": 800, "name": "MnH"}


unique_id: e065009441249eb151da76e722d757c2
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": true, "potentials": "pslib", "xc": "PBE", "potentials_version": "0.3.1", "calculator_version": 5.0999999999999996, "project": "tmfp06d", "frequency": 638.19405023185038, "time": 18067.046406030655, "dw": 800, "name": "FeF"}


unique_id: 46d36e0855d2c9592adaddc2c7ab5a76
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": false, "potentials": "pslib", "xc": "PBE", "potentials_version": "0.3.1", "project": "tmfp06d", "time": 293.09595704078674, "calculator_version": 5.0999999999999996, "dw": 800, "name": "O"}


unique_id: c7e61c0f8137ea2188fb0dc6c0d7542e
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": false, "potentials": "pslib", "xc": "PBE", "potentials_version": "0.3.1", "project": "tmfp06d", "time": 2027.9658019542694, "calculator_version": 5.0999999999999996, "dw": 800, "name": "Sc"}


unique_id: 2101b70b6575ee717fa76d20993523d4
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": true, "potentials": "pslib", "xc": "PBE", "potentials_version": "0.3.1", "calculator_version": 5.0999999999999996, "project": "tmfp06d", "frequency": 423.38795774408516, "time": 18878.535776138306, "dw": 800, "name": "Fe2"}


unique_id: 65b33c2b38cf9ce6147ce6a80ee187e2
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": false, "potentials": "pslib", "xc": "PBE", "potentials_version": "0.3.1", "calculator_version": 5.0999999999999996, "project": "tmfp06d", "frequency": 733.44948307882225, "time": 6898.1245899200439, "dw": 800, "name": "ScF"}


unique_id: 5f283743e46aa3ef29a6c4ebe6598fa3
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": true, "potentials": "pslib", "xc": "PBE", "potentials_version": "0.3.1", "calculator_version": 5.0999999999999996, "project": "tmfp06d", "frequency": 909.35032523626126, "time": 15251.435997962952, "dw": 800, "name": "MnO"}


unique_id: 7676621a702172fafac10f4f746b58c7
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": false, "potentials": "pslib", "xc": "PBE", "potentials_version": "0.3.1", "calculator_version": 5.0999999999999996, "project": "tmfp06d", "frequency": 857.25923067959866, "time": 11959.123299837112, "dw": 800, "name": "NiO"}


unique_id: 14c84b203362c2b8bb37f58057fdfb79
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": false, "potentials": "pslib", "xc": "PBE", "potentials_version": "0.3.1", "calculator_version": 5.0999999999999996, "project": "tmfp06d", "frequency": 284.83224943101158, "time": 24512.238445043564, "dw": 800, "name": "Ni2"}


unique_id: 17bb4b8c180517fc6212903b0892df95
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": true, "potentials": "pslib", "xc": "PBE", "potentials_version": "0.3.1", "calculator_version": 5.0999999999999996, "project": "tmfp06d", "frequency": 1857.8616305230425, "time": 25652.103649139404, "dw": 800, "name": "FeH"}


unique_id: 7d506996c07c7ddcd0acc34e854a7539
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": true, "potentials": "pslib", "xc": "PBE", "potentials_version": "0.3.1", "calculator_version": 5.0999999999999996, "project": "tmfp06d", "frequency": 940.63592136284478, "time": 23602.098059177399, "dw": 800, "name": "FeO"}


unique_id: bf1953f86ab412c4a40e5c14247bb3c3
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": false, "potentials": "pslib", "xc": "PBE", "potentials_version": "0.3.1", "calculator_version": 5.0999999999999996, "project": "tmfp06d", "frequency": 1548.8783887203845, "time": 6015.2735450267792, "dw": 800, "name": "ScH"}


unique_id: 29ca1b42a9034ca6520b52838a4b5db7
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": true, "potentials": "pslib", "xc": "PBE", "potentials_version": "0.3.1", "calculator_version": 5.0999999999999996, "project": "tmfp06d", "frequency": 723.66902378559928, "time": 7434.2811560630798, "dw": 800, "name": "ScF"}


unique_id: c286a7b9d9783fa17d6b916f14754701
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": false, "potentials": "pslib", "xc": "PBE", "potentials_version": "0.3.1", "project": "tmfp06d", "time": 2454.9214849472046, "calculator_version": 5.0999999999999996, "dw": 800, "name": "Ti"}


unique_id: 2572ceec90b194deea994938c64d5ce8
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": true, "potentials": "pslib", "xc": "PBE", "potentials_version": "0.3.1", "calculator_version": 5.0999999999999996, "project": "tmfp06d", "frequency": 902.71685668079044, "time": 60466.230613946915, "dw": 800, "name": "CoO"}


unique_id: df5ffb316da0e2dcc80afe06db5cea23
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": false, "potentials": "pslib", "xc": "PBE", "potentials_version": "0.3.1", "calculator_version": 5.0999999999999996, "project": "tmfp06d", "frequency": 211.78365364010895, "time": 20638.226819038391, "dw": 800, "name": "Sc2"}


unique_id: 3f5cac8edc49f056571c2e7caf88f7d4
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": true, "potentials": "pslib", "xc": "PBE", "potentials_version": "0.3.1", "calculator_version": 5.0999999999999996, "project": "tmfp06d", "frequency": 1595.2466533265499, "time": 7024.8295519351959, "dw": 800, "name": "ScH"}


unique_id: 2eb18b650ea97d0c1834ab60f4652acb
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": true, "potentials": "pslib", "xc": "PBE", "potentials_version": "0.3.1", "calculator_version": 5.0999999999999996, "project": "tmfp06d", "frequency": 878.40376912671798, "time": 12964.282189130783, "dw": 800, "name": "NiO"}


unique_id: 76079c30f857b252edbb51b445e35bc4
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": false, "potentials": "pslib", "xc": "PBE", "potentials_version": "0.3.1", "calculator_version": 5.0999999999999996, "project": "tmfp06d", "frequency": 904.42962292410641, "time": 12134.155686855316, "dw": 800, "name": "ScN"}


unique_id: 3cb6e316d4b7a6f0ec48d44b64133367
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": false, "potentials": "pslib", "xc": "PBE", "potentials_version": "0.3.1", "calculator_version": 5.0999999999999996, "project": "tmfp06d", "frequency": 981.78641850478652, "time": 13160.008619785309, "dw": 800, "name": "ScO"}


unique_id: ce47aea54d52b52d82653fd08af73ea7
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": false, "potentials": "pslib", "xc": "PBE", "potentials_version": "0.3.1", "calculator_version": 5.0999999999999996, "project": "tmfp06d", "frequency": 1906.5381009489815, "time": 32846.458797931671, "dw": 800, "name": "NiH"}


unique_id: 214e18d39b9ee7b5c2546c000d5d5bf4
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": false, "potentials": "pslib", "xc": "PBE", "potentials_version": "0.3.1", "calculator_version": 5.0999999999999996, "project": "tmfp06d", "frequency": 64.16883532347191, "time": 54439.921561002731, "dw": 800, "name": "Mn2"}


unique_id: f9d25f7608c72a3b355e0a72fd20f16a
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": true, "potentials": "pslib", "xc": "PBE", "potentials_version": "0.3.1", "calculator_version": 5.0999999999999996, "project": "tmfp06d", "frequency": 142.04199988436588, "time": 42299.349060773849, "dw": 800, "name": "K2"}


unique_id: 4ecdb84df9d8e400a0c1fcfd3cbde47d
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": false, "potentials": "pslib", "xc": "PBE", "potentials_version": "0.3.1", "calculator_version": 5.0999999999999996, "project": "tmfp06d", "frequency": 427.73239955720572, "time": 13900.859712123871, "dw": 800, "name": "Ti2"}


unique_id: fc11837cba3c57a548414fbe5cb59a8c
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": false, "potentials": "pslib", "xc": "PBE", "potentials_version": "0.3.1", "calculator_version": 5.0999999999999996, "project": "tmfp06d", "frequency": 603.37732996957345, "time": 13993.368792772293, "dw": 800, "name": "TiF"}


unique_id: 374dcdabb97a91c831a155507765ad02
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": false, "potentials": "pslib", "xc": "PBE", "potentials_version": "0.3.1", "calculator_version": 5.0999999999999996, "project": "tmfp06d", "frequency": 1136.6623544560939, "time": 12591.972147941589, "dw": 800, "name": "TiN"}


unique_id: 6dec9d0013b6755b5efb476be9e4e999
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": true, "potentials": "pslib", "xc": "PBE", "potentials_version": "0.3.1", "calculator_version": 5.0999999999999996, "project": "tmfp06d", "frequency": 335.61509702342528, "time": 26201.692158937454, "dw": 800, "name": "Ni2"}


unique_id: 6ae7eed790ed89e818b4c22c96144134
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": true, "potentials": "pslib", "xc": "PBE", "potentials_version": "0.3.1", "calculator_version": 5.0999999999999996, "project": "tmfp06d", "frequency": 251.20698994917478, "time": 17068.300591945648, "dw": 800, "name": "Sc2"}


unique_id: e12d0ebc7e343c963c06ed0e6707932b
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": false, "potentials": "pslib", "xc": "PBE", "potentials_version": "0.3.1", "project": "tmfp06d", "time": 3288.9937689304352, "calculator_version": 5.0999999999999996, "dw": 800, "name": "V"}


unique_id: 1bd9537882282753ede428de77f6b3d4
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": true, "potentials": "pslib", "xc": "PBE", "potentials_version": "0.3.1", "calculator_version": 5.0999999999999996, "project": "tmfp06d", "frequency": 974.16712392092961, "time": 14188.615404844284, "dw": 800, "name": "ScO"}


unique_id: 5ac8ece13d9cc00874299deaeb4de8c3
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": true, "potentials": "pslib", "xc": "PBE", "potentials_version": "0.3.1", "calculator_version": 5.0999999999999996, "project": "tmfp06d", "frequency": 922.81136279724501, "time": 15677.883424043655, "dw": 800, "name": "ScN"}


unique_id: 659e8ecc75a03614bc1ecfd8a6c36ef3
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": false, "potentials": "pslib", "xc": "PBE", "potentials_version": "0.3.1", "project": "tmfp06d", "time": 312.99030208587646, "calculator_version": 5.0999999999999996, "dw": 800, "name": "Zn"}


unique_id: a3fad597ec73f987b53b594eca85134b
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": false, "potentials": "pslib", "xc": "PBE", "potentials_version": "0.3.1", "calculator_version": 5.0999999999999996, "project": "tmfp06d", "frequency": 1030.5226640879098, "time": 12056.795813083649, "dw": 800, "name": "TiO"}


unique_id: c70c260e5c3dd9009d9e20fd18199d0f
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": false, "potentials": "pslib", "xc": "PBE", "potentials_version": "0.3.1", "calculator_version": 5.0999999999999996, "project": "tmfp06d", "frequency": 232.52533542067354, "time": 6041.9653069972992, "dw": 800, "name": "Zn2"}


unique_id: faf894f39aae235626696d5d84051d9a
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": true, "potentials": "pslib", "xc": "PBE", "potentials_version": "0.3.1", "calculator_version": 5.0999999999999996, "project": "tmfp06d", "frequency": 451.18649587811188, "time": 17310.333583831787, "dw": 800, "name": "Ti2"}


unique_id: 47ada72dc5f9c0a1ec91c0ce84a401a6
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": true, "potentials": "pslib", "xc": "PBE", "potentials_version": "0.3.1", "calculator_version": 5.0999999999999996, "project": "tmfp06d", "frequency": 701.31194918153687, "time": 15860.179760932922, "dw": 800, "name": "TiF"}


unique_id: c752a3a56e3774b410dcbbd2992a5174
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": true, "potentials": "pslib", "xc": "PBE", "potentials_version": "0.3.1", "calculator_version": 5.0999999999999996, "project": "tmfp06d", "frequency": 1110.9622635023536, "time": 16108.326375961304, "dw": 800, "name": "TiN"}


unique_id: 7e53bd9ec17bb07840aee153243c5e44
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": false, "potentials": "pslib", "xc": "PBE", "potentials_version": "0.3.1", "calculator_version": 5.0999999999999996, "project": "tmfp06d", "frequency": 632.36151793406088, "time": 13484.364010810852, "dw": 800, "name": "V2"}


unique_id: e37c78d44e952f1e2f379f6a7a7ba03c
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": false, "potentials": "pslib", "xc": "PBE", "potentials_version": "0.3.1", "calculator_version": 5.0999999999999996, "project": "tmfp06d", "frequency": 1037.6203182409627, "time": 12828.034907102585, "dw": 800, "name": "VO"}


unique_id: 92ee3b5ebf7cbf05f37c4ab45d23e2cb
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": true, "potentials": "pslib", "xc": "PBE", "potentials_version": "0.3.1", "calculator_version": 5.0999999999999996, "project": "tmfp06d", "frequency": 1021.2152250031959, "time": 13122.96238899231, "dw": 800, "name": "TiO"}


unique_id: e8aa78de41b45c1cc2784b9d781cc58b
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": false, "potentials": "pslib", "xc": "PBE", "potentials_version": "0.3.1", "calculator_version": 5.0999999999999996, "project": "tmfp06d", "frequency": 1530.7598735943111, "time": 35130.015415906906, "dw": 800, "name": "TiH"}


unique_id: 24e769ec2f3c34473de3b21c5881204e
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": false, "potentials": "pslib", "xc": "PBE", "potentials_version": "0.3.1", "calculator_version": 5.0999999999999996, "project": "tmfp06d", "frequency": 1069.1482763422755, "time": 16869.984302997589, "dw": 800, "name": "VN"}


unique_id: c4b4fd63e36d8c8b13b68ade26a1db1a
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": false, "potentials": "pslib", "xc": "PBE", "potentials_version": "0.3.1", "calculator_version": 5.0999999999999996, "project": "tmfp06d", "frequency": 690.74414649276537, "time": 7757.4148519039154, "dw": 800, "name": "ZnO"}


unique_id: b02bad8837c4d816fbe32c033619cbee
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": true, "potentials": "pslib", "xc": "PBE", "potentials_version": "0.3.1", "calculator_version": 5.0999999999999996, "project": "tmfp06d", "frequency": 41.255872260198842, "time": 11087.862051010132, "dw": 800, "name": "Zn2"}


unique_id: 9ec03b78b845a138d6e6b76ba7ac0d5a
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": true, "potentials": "pslib", "xc": "PBE", "potentials_version": "0.3.1", "calculator_version": 5.0999999999999996, "project": "tmfp06d", "frequency": 2046.0115766323245, "time": 30673.169885158539, "dw": 800, "name": "NiH"}


unique_id: 212f1c5fe1182e83ae13ed28ccfad32f
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": true, "potentials": "pslib", "xc": "PBE", "potentials_version": "0.3.1", "calculator_version": 5.0999999999999996, "project": "tmfp06d", "frequency": 203.58460828634767, "time": 34226.673655033112, "dw": 800, "name": "Mn2"}


unique_id: 1470d7b97e6fc9c8e3a60c02b5cc0d7f
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": true, "potentials": "pslib", "xc": "PBE", "potentials_version": "0.3.1", "calculator_version": 5.0999999999999996, "project": "tmfp06d", "frequency": 653.20904118910062, "time": 14504.646958827972, "dw": 800, "name": "V2"}


unique_id: d09090a70e7b30994d3f9d8ff407bc6b
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": true, "potentials": "pslib", "xc": "PBE", "potentials_version": "0.3.1", "calculator_version": 5.0999999999999996, "project": "tmfp06d", "frequency": 1029.7660948505927, "time": 13693.371345996857, "dw": 800, "name": "VO"}


unique_id: b488a2f5cc27ce683e9e314f4c1eb5fb
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": true, "potentials": "pslib", "xc": "PBE", "potentials_version": "0.3.1", "calculator_version": 5.0999999999999996, "project": "tmfp06d", "frequency": 756.03587594948976, "time": 9988.4542489051819, "dw": 800, "name": "ZnO"}


unique_id: 968e9af761cd1bba84986523dc099077
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": true, "potentials": "pslib", "xc": "PBE", "potentials_version": "0.3.1", "calculator_version": 5.0999999999999996, "project": "tmfp06d", "frequency": 1106.9279998513541, "time": 18857.352236032486, "dw": 800, "name": "VN"}


unique_id: f64988b7075a742e93ee47b72c6de099
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": true, "potentials": "pslib", "xc": "PBE", "potentials_version": "0.3.1", "calculator_version": 5.0999999999999996, "project": "tmfp06d", "frequency": 1561.9465852181647, "time": 33420.68431687355, "dw": 800, "name": "TiH"}


unique_id: 8a3bc7ade62f8a395217aacfad8faf4a
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": false, "potentials": "sg15_oncv", "xc": "PBE", "potentials_version": "24Jan2015", "project": "tmfp06d", "time": 91.680826187133789, "calculator_version": 5.0999999999999996, "dw": 400, "name": "H"}


unique_id: bc727698cf8f1bbb148a7fe789c32622
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": false, "potentials": "sg15_oncv", "xc": "PBE", "potentials_version": "24Jan2015", "project": "tmfp06d", "time": 118.937579870224, "calculator_version": 5.0999999999999996, "dw": 400, "name": "N"}


unique_id: 31a01c03ab55083c858e93413a463d65
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": false, "potentials": "sg15_oncv", "xc": "PBE", "potentials_version": "24Jan2015", "project": "tmfp06d", "time": 479.42648100852966, "calculator_version": 5.0999999999999996, "dw": 400, "name": "O"}


unique_id: 718def777ceb81ab8dc956948479075b
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": false, "potentials": "sg15_oncv", "xc": "PBE", "potentials_version": "24Jan2015", "project": "tmfp06d", "time": 451.7592761516571, "calculator_version": 5.0999999999999996, "dw": 400, "name": "F"}


unique_id: c2088042c78acf58079101f3d2993441
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": false, "potentials": "sg15_oncv", "xc": "PBE", "potentials_version": "24Jan2015", "project": "tmfp06d", "time": 76.82043194770813, "calculator_version": 5.0999999999999996, "dw": 400, "name": "Ca"}


unique_id: db085a3fbc2848d35ef3983056aad994
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": false, "potentials": "sg15_oncv", "xc": "PBE", "potentials_version": "24Jan2015", "calculator_version": 5.0999999999999996, "project": "tmfp06d", "frequency": 67.801359409070017, "time": 1568.0409870147705, "dw": 400, "name": "Ca2"}


unique_id: 70e82681d453e1e35f5bdeb41ed9e755
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": true, "potentials": "sg15_oncv", "xc": "PBE", "potentials_version": "24Jan2015", "calculator_version": 5.0999999999999996, "project": "tmfp06d", "frequency": 92.001716507379186, "time": 1916.4944851398468, "dw": 400, "name": "Ca2"}


unique_id: 11ada21612c43e533bc7153bcb3fefda
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": false, "potentials": "sg15_oncv", "xc": "PBE", "potentials_version": "24Jan2015", "calculator_version": 5.0999999999999996, "project": "tmfp06d", "frequency": 547.26210810332748, "time": 3787.0874888896942, "dw": 400, "name": "CaF"}


unique_id: 8bb1b33786053787b7fa9a4b25522d58
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": false, "potentials": "sg15_oncv", "xc": "PBE", "potentials_version": "24Jan2015", "calculator_version": 5.0999999999999996, "project": "tmfp06d", "frequency": 1227.3013869242504, "time": 2762.729583978653, "dw": 400, "name": "CaH"}


unique_id: 8c8f65346beb16a94e0de77940a19ed1
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": false, "potentials": "sg15_oncv", "xc": "PBE", "potentials_version": "24Jan2015", "calculator_version": 5.0999999999999996, "project": "tmfp06d", "frequency": 746.16932601300016, "time": 2196.0015339851379, "dw": 400, "name": "CaO"}


unique_id: b920034d13f4c63ceef47d9e3218a91b
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": true, "potentials": "sg15_oncv", "xc": "PBE", "potentials_version": "24Jan2015", "calculator_version": 5.0999999999999996, "project": "tmfp06d", "frequency": 767.28659432198162, "time": 2337.2703700065613, "dw": 400, "name": "CaO"}


unique_id: 25cf23209755d0e88ae2692fd4903b13
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": true, "potentials": "sg15_oncv", "xc": "PBE", "potentials_version": "24Jan2015", "calculator_version": 5.0999999999999996, "project": "tmfp06d", "frequency": 1291.0980186680233, "time": 2986.5995831489563, "dw": 400, "name": "CaH"}


unique_id: a4765efd1dace7e3fd6b8454a662d414
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": false, "potentials": "sg15_oncv", "xc": "PBE", "potentials_version": "24Jan2015", "project": "tmfp06d", "time": 764.19265699386597, "calculator_version": 5.0999999999999996, "dw": 400, "name": "Cr"}


unique_id: 4ad86f09e4e0777c8d838378a4b050ef
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": true, "potentials": "sg15_oncv", "xc": "PBE", "potentials_version": "24Jan2015", "calculator_version": 5.0999999999999996, "project": "tmfp06d", "frequency": 588.81585810326976, "time": 4577.6416339874268, "dw": 400, "name": "CaF"}


unique_id: 2dc3d9bb9620ff9e7d1bafaa17388d03
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": false, "potentials": "sg15_oncv", "xc": "PBE", "potentials_version": "24Jan2015", "calculator_version": 5.0999999999999996, "project": "tmfp06d", "frequency": 573.02077986478071, "time": 2378.2593080997467, "dw": 400, "name": "Cr2"}


unique_id: c51485c6402c127ea93d08dd647f19ed
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": false, "potentials": "sg15_oncv", "xc": "PBE", "potentials_version": "24Jan2015", "calculator_version": 5.0999999999999996, "project": "tmfp06d", "frequency": 383.44931026466367, "time": 5844.0662379264832, "dw": 400, "name": "Co2"}


unique_id: 22c6b1c18887f974f926bdf9e7e0c1de
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": false, "potentials": "sg15_oncv", "xc": "PBE", "potentials_version": "24Jan2015", "calculator_version": 5.0999999999999996, "project": "tmfp06d", "frequency": 1790.1033497043763, "time": 5818.3102469444275, "dw": 400, "name": "CoH"}


unique_id: 9b9499dbaadc7956a1336ae74abebcaf
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": false, "potentials": "sg15_oncv", "xc": "PBE", "potentials_version": "24Jan2015", "calculator_version": 5.0999999999999996, "project": "tmfp06d", "frequency": 1617.2229625745117, "time": 3420.5782351493835, "dw": 400, "name": "CrH"}


unique_id: f1e7587458b6ccd75f94d3344144aff9
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": false, "potentials": "sg15_oncv", "xc": "PBE", "potentials_version": "24Jan2015", "calculator_version": 5.0999999999999996, "project": "tmfp06d", "frequency": 650.85968608891824, "time": 4484.5002961158752, "dw": 400, "name": "CrF"}


unique_id: fc2ca55fd9fee2b9dc7e7582653e3e12
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": true, "potentials": "sg15_oncv", "xc": "PBE", "potentials_version": "24Jan2015", "calculator_version": 5.0999999999999996, "project": "tmfp06d", "frequency": 644.4440626552024, "time": 2733.904895067215, "dw": 400, "name": "Cr2"}


unique_id: 80f0b1c4b46ae20f46f613b62c3d900c
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": false, "potentials": "sg15_oncv", "xc": "PBE", "potentials_version": "24Jan2015", "calculator_version": 5.0999999999999996, "project": "tmfp06d", "frequency": 890.37546151595393, "time": 4128.1614570617676, "dw": 400, "name": "CrN"}


unique_id: 97723a7bbd8ca118cbee52265ed1b4d6
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": false, "potentials": "sg15_oncv", "xc": "PBE", "potentials_version": "24Jan2015", "calculator_version": 5.0999999999999996, "project": "tmfp06d", "frequency": 869.05017924971423, "time": 6584.4060380458832, "dw": 400, "name": "CoO"}


unique_id: b892cb9b8fd879e1b4fa701c44fbcfbe
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": true, "potentials": "sg15_oncv", "xc": "PBE", "potentials_version": "24Jan2015", "calculator_version": 5.0999999999999996, "project": "tmfp06d", "frequency": 1629.1419858894362, "time": 3657.4211030006409, "dw": 400, "name": "CrH"}


unique_id: bc31d97b5af6999e6546044e91fbd3d5
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": false, "potentials": "sg15_oncv", "xc": "PBE", "potentials_version": "24Jan2015", "project": "tmfp06d", "time": 228.30218315124512, "calculator_version": 5.0999999999999996, "dw": 400, "name": "Cu"}


unique_id: cf941b8e55ee87a7991b25e29ef54555
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": true, "potentials": "sg15_oncv", "xc": "PBE", "potentials_version": "24Jan2015", "calculator_version": 5.0999999999999996, "project": "tmfp06d", "frequency": 397.12073828888106, "time": 6408.0413219928741, "dw": 400, "name": "Co2"}


unique_id: b9885dafd47e7ddc1a37d5d84c50b8e8
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": true, "potentials": "sg15_oncv", "xc": "PBE", "potentials_version": "24Jan2015", "calculator_version": 5.0999999999999996, "project": "tmfp06d", "frequency": 1842.7495683593488, "time": 6583.2551741600037, "dw": 400, "name": "CoH"}


unique_id: a6e28577ed488b34c75e04691a366873
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": true, "potentials": "sg15_oncv", "xc": "PBE", "potentials_version": "24Jan2015", "calculator_version": 5.0999999999999996, "project": "tmfp06d", "frequency": 629.25919127192878, "time": 5143.7012062072754, "dw": 400, "name": "CrF"}


unique_id: dda6fe0e26b99aa09e23ff985792404e
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": false, "potentials": "sg15_oncv", "xc": "PBE", "potentials_version": "24Jan2015", "calculator_version": 5.0999999999999996, "project": "tmfp06d", "frequency": 876.36080056093817, "time": 4965.2783479690552, "dw": 400, "name": "CrO"}


unique_id: a9055a658e2e1945a213d869dcfc368c
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": true, "potentials": "sg15_oncv", "xc": "PBE", "potentials_version": "24Jan2015", "calculator_version": 5.0999999999999996, "project": "tmfp06d", "frequency": 963.30291878159562, "time": 4425.0211398601532, "dw": 400, "name": "CrN"}


unique_id: f2b60fb2c0de94c49abbe7fa8b286dbd
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": false, "potentials": "sg15_oncv", "xc": "PBE", "potentials_version": "24Jan2015", "calculator_version": 5.0999999999999996, "project": "tmfp06d", "frequency": 268.98360480335992, "time": 2786.6200180053711, "dw": 400, "name": "Cu2"}


unique_id: b0d17d1fa92c4e17e6d61c41c83b646e
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": false, "potentials": "sg15_oncv", "xc": "PBE", "potentials_version": "24Jan2015", "project": "tmfp06d", "time": 663.63001894950867, "calculator_version": 5.0999999999999996, "dw": 400, "name": "Fe"}


unique_id: b820c67a229aae1bcca605d6e28e0bf4
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": false, "potentials": "sg15_oncv", "xc": "PBE", "potentials_version": "24Jan2015", "calculator_version": 5.0999999999999996, "project": "tmfp06d", "frequency": 622.44165600036195, "time": 2161.9368569850922, "dw": 400, "name": "CuF"}


unique_id: a95025fd1858504bc3eb359bb557ff8f
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": false, "potentials": "sg15_oncv", "xc": "PBE", "potentials_version": "24Jan2015", "calculator_version": 5.0999999999999996, "project": "tmfp06d", "frequency": 1960.5452772552233, "time": 1930.7526090145111, "dw": 400, "name": "CuH"}


unique_id: 414ff6ce99de7d80e5450caf48a70c91
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": true, "potentials": "sg15_oncv", "xc": "PBE", "potentials_version": "24Jan2015", "calculator_version": 5.0999999999999996, "project": "tmfp06d", "frequency": 875.99337531942956, "time": 6997.1492960453033, "dw": 400, "name": "CoO"}


unique_id: eb7bde16d11346104b194a3877473e8a
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": true, "potentials": "sg15_oncv", "xc": "PBE", "potentials_version": "24Jan2015", "calculator_version": 5.0999999999999996, "project": "tmfp06d", "frequency": 1970.6264451424252, "time": 2039.8824949264526, "dw": 400, "name": "CuH"}


unique_id: a24861a01c75f207d72cc6de47b101e9
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": true, "potentials": "sg15_oncv", "xc": "PBE", "potentials_version": "24Jan2015", "calculator_version": 5.0999999999999996, "project": "tmfp06d", "frequency": 266.69838110540331, "time": 3157.6074938774109, "dw": 400, "name": "Cu2"}


unique_id: 3761fc0b7a5dfbcab232c6d919485e83
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": true, "potentials": "sg15_oncv", "xc": "PBE", "potentials_version": "24Jan2015", "calculator_version": 5.0999999999999996, "project": "tmfp06d", "frequency": 613.05805581525613, "time": 2326.7127871513367, "dw": 400, "name": "CuF"}


unique_id: a307464e6f6a04dad64bee256c8f356a
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": false, "potentials": "sg15_oncv", "xc": "PBE", "potentials_version": "24Jan2015", "project": "tmfp06d", "time": 216.56107687950134, "calculator_version": 5.0999999999999996, "dw": 400, "name": "K"}


unique_id: 7c37582cdddf4aa38a87720e8ecb5a2c
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": false, "potentials": "sg15_oncv", "xc": "PBE", "potentials_version": "24Jan2015", "calculator_version": 5.0999999999999996, "project": "tmfp06d", "frequency": 669.06103201684368, "time": 4373.2514050006866, "dw": 400, "name": "CuO"}


unique_id: f01281a26a03ce337549745a0da56875
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": true, "potentials": "sg15_oncv", "xc": "PBE", "potentials_version": "24Jan2015", "calculator_version": 5.0999999999999996, "project": "tmfp06d", "frequency": 878.82020150799019, "time": 4933.7605700492859, "dw": 400, "name": "CrO"}


unique_id: c591125e3ccde56b011458d1241c796a
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": false, "potentials": "sg15_oncv", "xc": "PBE", "potentials_version": "24Jan2015", "calculator_version": 5.0999999999999996, "project": "tmfp06d", "frequency": 94.972883045385117, "time": 1649.6690330505371, "dw": 400, "name": "K2"}


unique_id: c545f70cb48e7cc29d74b27aa656fe91
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": false, "potentials": "sg15_oncv", "xc": "PBE", "potentials_version": "24Jan2015", "calculator_version": 5.0999999999999996, "project": "tmfp06d", "frequency": 387.53012578178675, "time": 5672.9294099807739, "dw": 400, "name": "Fe2"}


unique_id: 6219a6cd5be20e27104ad583ccf62d9a
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": false, "potentials": "sg15_oncv", "xc": "PBE", "potentials_version": "24Jan2015", "calculator_version": 5.0999999999999996, "project": "tmfp06d", "frequency": 415.1988622593467, "time": 1790.570023059845, "dw": 400, "name": "KF"}


unique_id: 53a65a3d3e90e74cbb25b77988298793
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": false, "potentials": "sg15_oncv", "xc": "PBE", "potentials_version": "24Jan2015", "calculator_version": 5.0999999999999996, "project": "tmfp06d", "frequency": 651.5869093142868, "time": 4116.3825879096985, "dw": 400, "name": "FeF"}


unique_id: 2b6580c2be4f9f7341e9029df7439688
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": true, "potentials": "sg15_oncv", "xc": "PBE", "potentials_version": "24Jan2015", "calculator_version": 5.0999999999999996, "project": "tmfp06d", "frequency": 83.247527673571724, "time": 1785.7370228767395, "dw": 400, "name": "K2"}


unique_id: d0a49e93d2711fb392dc5fcf91f2b521
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": false, "potentials": "sg15_oncv", "xc": "PBE", "potentials_version": "24Jan2015", "calculator_version": 5.0999999999999996, "project": "tmfp06d", "frequency": 945.64393230201358, "time": 1369.6412861347198, "dw": 400, "name": "KH"}


unique_id: 477fcb33ec924ca8749907847e9a0e21
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": true, "potentials": "sg15_oncv", "xc": "PBE", "potentials_version": "24Jan2015", "calculator_version": 5.0999999999999996, "project": "tmfp06d", "frequency": 420.97133631587286, "time": 1915.1803061962128, "dw": 400, "name": "KF"}


unique_id: e69d2136e2a5fc667f97bc13646b554a
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": false, "potentials": "sg15_oncv", "xc": "PBE", "potentials_version": "24Jan2015", "calculator_version": 5.0999999999999996, "project": "tmfp06d", "frequency": 886.37981078557539, "time": 5155.2854549884796, "dw": 400, "name": "FeO"}


unique_id: 412f2dbdf46ec71940e4f3443caa9380
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": false, "potentials": "sg15_oncv", "xc": "PBE", "potentials_version": "24Jan2015", "project": "tmfp06d", "time": 249.87769889831543, "calculator_version": 5.0999999999999996, "dw": 400, "name": "Mn"}


unique_id: e4ad03094b6b96bbc0a8f327d082f707
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": true, "potentials": "sg15_oncv", "xc": "PBE", "potentials_version": "24Jan2015", "calculator_version": 5.0999999999999996, "project": "tmfp06d", "frequency": 691.10743387390892, "time": 5120.3159160614014, "dw": 400, "name": "CuO"}


unique_id: a23fbfa8f857e92eed2d1524af2614c2
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": true, "potentials": "sg15_oncv", "xc": "PBE", "potentials_version": "24Jan2015", "calculator_version": 5.0999999999999996, "project": "tmfp06d", "frequency": 955.78732102762967, "time": 1417.6113409996033, "dw": 400, "name": "KH"}


unique_id: 961d8e1b34d0eadae47b4d23d018a397
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": false, "potentials": "sg15_oncv", "xc": "PBE", "potentials_version": "24Jan2015", "calculator_version": 5.0999999999999996, "project": "tmfp06d", "frequency": 1614.5217110069643, "time": 6664.3899040222168, "dw": 400, "name": "FeH"}


unique_id: 1210e92808c4e968b16eb15cafeb1c55
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": true, "potentials": "sg15_oncv", "xc": "PBE", "potentials_version": "24Jan2015", "calculator_version": 5.0999999999999996, "project": "tmfp06d", "frequency": 639.45807704680158, "time": 4410.1919989585876, "dw": 400, "name": "FeF"}


unique_id: be1493b290b2150e64475d042ba44c42
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": false, "potentials": "sg15_oncv", "xc": "PBE", "potentials_version": "24Jan2015", "calculator_version": 5.0999999999999996, "project": "tmfp06d", "frequency": 1480.0619858371733, "time": 3058.2894539833069, "dw": 400, "name": "MnH"}


unique_id: 9d6cd2fe55c62d81b2eeacfda58f3dc3
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": true, "potentials": "sg15_oncv", "xc": "PBE", "potentials_version": "24Jan2015", "calculator_version": 5.0999999999999996, "project": "tmfp06d", "frequency": 410.88305866774613, "time": 6435.7822849750519, "dw": 400, "name": "Fe2"}


unique_id: a000f02dd7cfae4e2c5922e2dfff846a
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": false, "potentials": "sg15_oncv", "xc": "PBE", "potentials_version": "24Jan2015", "calculator_version": 5.0999999999999996, "project": "tmfp06d", "frequency": 869.50659916962798, "time": 4188.9989151954651, "dw": 400, "name": "MnO"}


unique_id: 98a6a3360115a0799884a98e6dd31f95
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": true, "potentials": "sg15_oncv", "xc": "PBE", "potentials_version": "24Jan2015", "calculator_version": 5.0999999999999996, "project": "tmfp06d", "frequency": 912.9222789113885, "time": 5508.7813000679016, "dw": 400, "name": "FeO"}


unique_id: 1aaa5c2b4aa5c13e990f85b1e8f0216b
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": false, "potentials": "sg15_oncv", "xc": "PBE", "potentials_version": "24Jan2015", "calculator_version": 5.0999999999999996, "project": "tmfp06d", "frequency": 59.604011551230293, "time": 5831.643049955368, "dw": 400, "name": "Mn2"}


unique_id: 210e96d969f1ba3a51d472d05c767108
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": true, "potentials": "sg15_oncv", "xc": "PBE", "potentials_version": "24Jan2015", "calculator_version": 5.0999999999999996, "project": "tmfp06d", "frequency": 1521.9018677600636, "time": 3487.1393349170685, "dw": 400, "name": "MnH"}


unique_id: 500898081b824ebbbb9597078a2a206a
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": true, "potentials": "sg15_oncv", "xc": "PBE", "potentials_version": "24Jan2015", "calculator_version": 5.0999999999999996, "project": "tmfp06d", "frequency": 1830.235440902431, "time": 7565.8964099884033, "dw": 400, "name": "FeH"}


unique_id: a7f50e6332dc3a5e511b2c2bb5f020d4
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": false, "potentials": "sg15_oncv", "xc": "PBE", "potentials_version": "24Jan2015", "project": "tmfp06d", "time": 274.79587197303772, "calculator_version": 5.0999999999999996, "dw": 400, "name": "Sc"}


unique_id: e7eb9a09f402701366bee372b5b4fc5c
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": true, "potentials": "sg15_oncv", "xc": "PBE", "potentials_version": "24Jan2015", "calculator_version": 5.0999999999999996, "project": "tmfp06d", "frequency": 904.99071066765691, "time": 4440.8371679782867, "dw": 400, "name": "MnO"}


unique_id: 8023d7054a5cbf31fc0ca8e058d28638
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": false, "potentials": "sg15_oncv", "xc": "PBE", "potentials_version": "24Jan2015", "calculator_version": 5.0999999999999996, "project": "tmfp06d", "frequency": 1911.4685265850487, "time": 5672.8680720329285, "dw": 400, "name": "NiH"}


unique_id: 98be59a39a1c89449818076d5b4f40fe
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": false, "potentials": "sg15_oncv", "xc": "PBE", "potentials_version": "24Jan2015", "calculator_version": 5.0999999999999996, "project": "tmfp06d", "frequency": 843.69624256709835, "time": 4444.8734860420227, "dw": 400, "name": "NiO"}


unique_id: e9b18d8beb2c3746eefb3978ef797a73
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": false, "potentials": "sg15_oncv", "xc": "PBE", "potentials_version": "24Jan2015", "calculator_version": 5.0999999999999996, "project": "tmfp06d", "frequency": 724.19782988709528, "time": 1666.2606959342957, "dw": 400, "name": "ScF"}


unique_id: b4a5dfbf9ae2a3a6c96223e9747477a6
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": true, "potentials": "sg15_oncv", "xc": "PBE", "potentials_version": "24Jan2015", "calculator_version": 5.0999999999999996, "project": "tmfp06d", "frequency": 723.18059492774955, "time": 1782.6725449562073, "dw": 400, "name": "ScF"}


unique_id: e0654d7ed24c67497796274a37ca06df
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": false, "potentials": "sg15_oncv", "xc": "PBE", "potentials_version": "24Jan2015", "calculator_version": 5.0999999999999996, "project": "tmfp06d", "frequency": 209.12338518620044, "time": 4133.5321538448334, "dw": 400, "name": "Sc2"}


unique_id: d068f17de98db54cc6b13e5d7e7ae9b5
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": false, "potentials": "sg15_oncv", "xc": "PBE", "potentials_version": "24Jan2015", "calculator_version": 5.0999999999999996, "project": "tmfp06d", "frequency": 1557.9231085391154, "time": 1353.3292541503906, "dw": 400, "name": "ScH"}


unique_id: aeb939ed5ba849974dda3cf2cfca3cdd
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": false, "potentials": "sg15_oncv", "xc": "PBE", "potentials_version": "24Jan2015", "calculator_version": 5.0999999999999996, "project": "tmfp06d", "frequency": 337.56166085004793, "time": 10898.414875030518, "dw": 400, "name": "Ni2"}


unique_id: e665347d1f4e9741192ad4c7acd24f2b
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": true, "potentials": "sg15_oncv", "xc": "PBE", "potentials_version": "24Jan2015", "calculator_version": 5.0999999999999996, "project": "tmfp06d", "frequency": 838.5664248534531, "time": 4752.3423700332642, "dw": 400, "name": "NiO"}


unique_id: 3dac71929b179e876251f06cbcfc5af0
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": true, "potentials": "sg15_oncv", "xc": "PBE", "potentials_version": "24Jan2015", "calculator_version": 5.0999999999999996, "project": "tmfp06d", "frequency": 1590.4293874457487, "time": 1455.1850388050079, "dw": 400, "name": "ScH"}


unique_id: ab7f047577b876bd3f5aa298b03ecb6e
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": true, "potentials": "sg15_oncv", "xc": "PBE", "potentials_version": "24Jan2015", "calculator_version": 5.0999999999999996, "project": "tmfp06d", "frequency": 1977.6973320375139, "time": 6612.9254720211029, "dw": 400, "name": "NiH"}


unique_id: 63d08e416ffdeb1d6db89718c7d30abf
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": false, "potentials": "sg15_oncv", "xc": "PBE", "potentials_version": "24Jan2015", "project": "tmfp06d", "time": 279.36170792579651, "calculator_version": 5.0999999999999996, "dw": 400, "name": "Ti"}


unique_id: 358626463c1f720f2c20a415b1b9ae0d
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": false, "potentials": "sg15_oncv", "xc": "PBE", "potentials_version": "24Jan2015", "calculator_version": 5.0999999999999996, "project": "tmfp06d", "frequency": 880.60088491510783, "time": 2009.9736738204956, "dw": 400, "name": "ScN"}


unique_id: 78e37573780d0c0f8e8fdd1079e77572
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": true, "potentials": "sg15_oncv", "xc": "PBE", "potentials_version": "24Jan2015", "calculator_version": 5.0999999999999996, "project": "tmfp06d", "frequency": 246.74933962308032, "time": 5615.8517429828644, "dw": 400, "name": "Sc2"}


unique_id: 79dca7213d75d3bfb208e51823fe45f0
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": false, "potentials": "sg15_oncv", "xc": "PBE", "potentials_version": "24Jan2015", "calculator_version": 5.0999999999999996, "project": "tmfp06d", "frequency": 966.70826509635879, "time": 3704.2650740146637, "dw": 400, "name": "ScO"}


unique_id: c79d2207d3ec73192e159d206870fbfc
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": true, "potentials": "sg15_oncv", "xc": "PBE", "potentials_version": "24Jan2015", "calculator_version": 5.0999999999999996, "project": "tmfp06d", "frequency": 908.67916279447491, "time": 2295.0384860038757, "dw": 400, "name": "ScN"}


unique_id: 97d525a6be675f23741581f7a2c0e37d
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": false, "potentials": "sg15_oncv", "xc": "PBE", "potentials_version": "24Jan2015", "calculator_version": 5.0999999999999996, "project": "tmfp06d", "frequency": 397.04189012631781, "time": 4214.977618932724, "dw": 400, "name": "Ti2"}


unique_id: 898751698d432c66dcf601fc49daa850
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": true, "potentials": "sg15_oncv", "xc": "PBE", "potentials_version": "24Jan2015", "calculator_version": 5.0999999999999996, "project": "tmfp06d", "frequency": 968.73657950577103, "time": 3949.4528830051422, "dw": 400, "name": "ScO"}


unique_id: 34164cfed45a406a7964e308ede7649f
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": false, "potentials": "sg15_oncv", "xc": "PBE", "potentials_version": "24Jan2015", "calculator_version": 5.0999999999999996, "project": "tmfp06d", "frequency": 590.48440144796587, "time": 5222.8454518318176, "dw": 400, "name": "TiF"}


unique_id: 9f56777a0da7f2d4f67599cff32112a2
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": true, "potentials": "sg15_oncv", "xc": "PBE", "potentials_version": "24Jan2015", "calculator_version": 5.0999999999999996, "project": "tmfp06d", "frequency": 211.00050118939819, "time": 18488.919595003128, "dw": 400, "name": "Mn2"}


unique_id: 2f5ec4f5951d6b0cccc7647faffc294d
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": false, "potentials": "sg15_oncv", "xc": "PBE", "potentials_version": "24Jan2015", "calculator_version": 5.0999999999999996, "project": "tmfp06d", "frequency": 1523.2328505497974, "time": 5409.4335060119629, "dw": 400, "name": "TiH"}


unique_id: c612823bc65e239f32153918a2c9368e
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": false, "potentials": "sg15_oncv", "xc": "PBE", "potentials_version": "24Jan2015", "calculator_version": 5.0999999999999996, "project": "tmfp06d", "frequency": 1085.3001887142466, "time": 3587.0792918205261, "dw": 400, "name": "TiN"}


unique_id: 5f128ff89deec2d63917d7a5ec468108
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": true, "potentials": "sg15_oncv", "xc": "PBE", "potentials_version": "24Jan2015", "calculator_version": 5.0999999999999996, "project": "tmfp06d", "frequency": 462.02229756227109, "time": 5389.591814994812, "dw": 400, "name": "Ti2"}


unique_id: 92141b8ca18032523a6edd66fdee2d93
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": true, "potentials": "sg15_oncv", "xc": "PBE", "potentials_version": "24Jan2015", "calculator_version": 5.0999999999999996, "project": "tmfp06d", "frequency": 315.1990081487466, "time": 12701.786337137222, "dw": 400, "name": "Ni2"}


unique_id: e7fe534dd9709e3350fe4bdd58a76c90
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": false, "potentials": "sg15_oncv", "xc": "PBE", "potentials_version": "24Jan2015", "calculator_version": 5.0999999999999996, "project": "tmfp06d", "frequency": 991.30732620089145, "time": 4296.6847620010376, "dw": 400, "name": "TiO"}


unique_id: 51e6474807e4e95d80410c55408ece2e
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": true, "potentials": "sg15_oncv", "xc": "PBE", "potentials_version": "24Jan2015", "calculator_version": 5.0999999999999996, "project": "tmfp06d", "frequency": 699.23960656524184, "time": 6120.7816479206085, "dw": 400, "name": "TiF"}


unique_id: 82200daf1e3842cfa70167d4e6d6b5b6
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": true, "potentials": "sg15_oncv", "xc": "PBE", "potentials_version": "24Jan2015", "calculator_version": 5.0999999999999996, "project": "tmfp06d", "frequency": 1092.4593473886641, "time": 3799.0194590091705, "dw": 400, "name": "TiN"}


unique_id: 4ee51f03aeaed47ac01b5f6ebb63369c
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": false, "potentials": "sg15_oncv", "xc": "PBE", "potentials_version": "24Jan2015", "calculator_version": 5.0999999999999996, "project": "tmfp06d", "frequency": 585.91466570025932, "time": 4384.2475180625916, "dw": 400, "name": "V2"}


unique_id: 7e94256e67535444092b74256e91cd43
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": true, "potentials": "sg15_oncv", "xc": "PBE", "potentials_version": "24Jan2015", "calculator_version": 5.0999999999999996, "project": "tmfp06d", "frequency": 1566.1145036130476, "time": 6451.9945070743561, "dw": 400, "name": "TiH"}


unique_id: 64617fd99b60556fce09538917f0e873
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": false, "potentials": "sg15_oncv", "xc": "PBE", "potentials_version": "24Jan2015", "project": "tmfp06d", "time": 110.07709693908691, "calculator_version": 5.0999999999999996, "dw": 400, "name": "Zn"}


unique_id: adb59e24c82ce08b6eee57b3271e8f51
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": true, "potentials": "sg15_oncv", "xc": "PBE", "potentials_version": "24Jan2015", "calculator_version": 5.0999999999999996, "project": "tmfp06d", "frequency": 1002.2401524462641, "time": 4602.8916909694672, "dw": 400, "name": "TiO"}


unique_id: cf87b4c5de192b2aa5b171c331367674
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": false, "potentials": "sg15_oncv", "xc": "PBE", "potentials_version": "24Jan2015", "calculator_version": 5.0999999999999996, "project": "tmfp06d", "frequency": 232.61210270473819, "time": 2446.1028459072113, "dw": 400, "name": "Zn2"}


unique_id: 1cba00663e2c2411f0d75c12a41fbe17
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": false, "potentials": "sg15_oncv", "xc": "PBE", "potentials_version": "24Jan2015", "calculator_version": 5.0999999999999996, "project": "tmfp06d", "frequency": 1029.5273074497459, "time": 4561.173957824707, "dw": 400, "name": "VN"}


unique_id: 2ba6a35a36231e40d4ea3868ffa2d2c7
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": false, "potentials": "sg15_oncv", "xc": "PBE", "potentials_version": "24Jan2015", "calculator_version": 5.0999999999999996, "project": "tmfp06d", "frequency": 1002.6558211353715, "time": 4229.1927809715271, "dw": 400, "name": "VO"}


unique_id: 922cdd4897356aab87ee3d18a923c1d6
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": false, "potentials": "sg15_oncv", "xc": "PBE", "potentials_version": "24Jan2015", "calculator_version": 5.0999999999999996, "project": "tmfp06d", "frequency": 703.52649757016638, "time": 2190.8725969791412, "dw": 400, "name": "ZnO"}


unique_id: a7c912bb277e6bdbc81df0be3686b930
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": true, "potentials": "sg15_oncv", "xc": "PBE", "potentials_version": "24Jan2015", "calculator_version": 5.0999999999999996, "project": "tmfp06d", "frequency": 653.34785904619469, "time": 5070.9251480102539, "dw": 400, "name": "V2"}


unique_id: 500906720e87b9441b1f90c30ba4eec9
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": true, "potentials": "sg15_oncv", "xc": "PBE", "potentials_version": "24Jan2015", "calculator_version": 5.0999999999999996, "project": "tmfp06d", "frequency": 760.44386771373979, "time": 2401.7873451709747, "dw": 400, "name": "ZnO"}


unique_id: 247ad8e147ebbcacc4daa40efd1a835e
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": true, "potentials": "sg15_oncv", "xc": "PBE", "potentials_version": "24Jan2015", "calculator_version": 5.0999999999999996, "project": "tmfp06d", "frequency": 51.326203534631475, "time": 4015.0938839912415, "dw": 400, "name": "Zn2"}


unique_id: 463b50b8325b85ecbbba7a31a78bc9e8
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": true, "potentials": "sg15_oncv", "xc": "PBE", "potentials_version": "24Jan2015", "calculator_version": 5.0999999999999996, "project": "tmfp06d", "frequency": 1012.6488658548969, "time": 4500.4331240653992, "dw": 400, "name": "VO"}


unique_id: f11f36bea1affc58147e6bda11d29e32
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": true, "potentials": "sg15_oncv", "xc": "PBE", "potentials_version": "24Jan2015", "calculator_version": 5.0999999999999996, "project": "tmfp06d", "frequency": 1087.4309787453808, "time": 5367.9199271202087, "dw": 400, "name": "VN"}


unique_id: d6379a4cae9b7c3609d74002353a2595
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": false, "potentials": "sg15_oncv", "xc": "PBE", "potentials_version": "24Jan2015", "project": "tmfp06d", "time": 2090.700756072998, "calculator_version": 5.0999999999999996, "dw": 400, "name": "Ni"}


unique_id: 3f71ec35af2bedcac568223bc7c849ff
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": false, "potentials": "sg15_oncv", "xc": "PBE", "potentials_version": "24Jan2015", "project": "tmfp06d", "time": 6351.2666370868683, "calculator_version": 5.0999999999999996, "dw": 400, "name": "Co"}


unique_id: 362cbf5ea0408bd5f443f610e292afcd
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": false, "potentials": "sg15_oncv", "xc": "PBE", "potentials_version": "24Jan2015", "project": "tmfp06d", "time": 1457.139662027359, "calculator_version": 5.0999999999999996, "dw": 400, "name": "V"}


unique_id: 72482e009ae05211f43b89c972a17860
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": false, "potentials": "gbrv", "xc": "PBE", "potentials_version": 1.3999999999999999, "project": "tmfp06d", "time": 103.47688508033752, "calculator_version": 5.0999999999999996, "dw": 400, "name": "Ca"}


unique_id: 9c0231561eef0085f882e5816ca8f313
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": false, "potentials": "gbrv", "xc": "PBE", "potentials_version": 1.3999999999999999, "calculator_version": 5.0999999999999996, "project": "tmfp06d", "frequency": 69.804851531243429, "time": 2652.3974320888519, "dw": 400, "name": "Ca2"}


unique_id: d9277f093e508623c9042578b205782b
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": false, "potentials": "gbrv", "xc": "PBE", "potentials_version": 1.3999999999999999, "calculator_version": 5.0999999999999996, "project": "tmfp06d", "frequency": 1203.5997035272453, "time": 3925.9518520832062, "dw": 400, "name": "CaH"}


unique_id: 75d80df4e98b055e87b821729014c1ba
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": true, "potentials": "gbrv", "xc": "PBE", "potentials_version": 1.3999999999999999, "calculator_version": 5.0999999999999996, "project": "tmfp06d", "frequency": 88.477606306934618, "time": 2999.5277760028839, "dw": 400, "name": "Ca2"}


unique_id: a5dad4c707dcd78d169198462b6221cd
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": false, "potentials": "gbrv", "xc": "PBE", "potentials_version": 1.3999999999999999, "calculator_version": 5.0999999999999996, "project": "tmfp06d", "frequency": 547.61537083303494, "time": 5793.7612509727478, "dw": 400, "name": "CaF"}


unique_id: b9d52b8f92b17803dd1169ffedc097ec
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": false, "potentials": "gbrv", "xc": "PBE", "potentials_version": 1.3999999999999999, "project": "tmfp06d", "time": 1048.7388129234314, "calculator_version": 5.0999999999999996, "dw": 400, "name": "Co"}


unique_id: eb3e263602455fa97e9345ab2f2193ff
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": true, "potentials": "gbrv", "xc": "PBE", "potentials_version": 1.3999999999999999, "calculator_version": 5.0999999999999996, "project": "tmfp06d", "frequency": 1292.4860828850117, "time": 4706.410551071167, "dw": 400, "name": "CaH"}


unique_id: 45a4fd7520bec654a94936b6b188f3be
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": true, "potentials": "gbrv", "xc": "PBE", "potentials_version": 1.3999999999999999, "calculator_version": 5.0999999999999996, "project": "tmfp06d", "frequency": 588.85139962944731, "time": 6592.9806530475616, "dw": 400, "name": "CaF"}


unique_id: 1a66cd9ffb1934dfe7c6628409c89805
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": false, "potentials": "gbrv", "xc": "PBE", "potentials_version": 1.3999999999999999, "calculator_version": 5.0999999999999996, "project": "tmfp06d", "frequency": 748.97507084461972, "time": 8245.1256518363953, "dw": 400, "name": "CaO"}


unique_id: a95c33a7c8876ebdfd059fb6bf969bd2
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": false, "potentials": "gbrv", "xc": "PBE", "potentials_version": 1.3999999999999999, "calculator_version": 5.0999999999999996, "project": "tmfp06d", "frequency": 1802.6057283095006, "time": 8986.7035970687866, "dw": 400, "name": "CoH"}


unique_id: 94704d309fb8d22674a3a34802c5549f
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": false, "potentials": "gbrv", "xc": "PBE", "potentials_version": 1.3999999999999999, "calculator_version": 5.0999999999999996, "project": "tmfp06d", "frequency": 377.99601482732521, "time": 12536.959753990173, "dw": 400, "name": "Co2"}


unique_id: d7eed13595901c9cd531f01d8c6a7db8
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": true, "potentials": "gbrv", "xc": "PBE", "potentials_version": 1.3999999999999999, "calculator_version": 5.0999999999999996, "project": "tmfp06d", "frequency": 762.92959350224726, "time": 9011.7379410266876, "dw": 400, "name": "CaO"}


unique_id: e92a3303dc47fd0d5d63ef8f350e930e
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": false, "potentials": "gbrv", "xc": "PBE", "potentials_version": 1.3999999999999999, "project": "tmfp06d", "time": 419.7417459487915, "calculator_version": 5.0999999999999996, "dw": 400, "name": "Cr"}


unique_id: 85e7c932a71ff363637cd32571eff9a7
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": true, "potentials": "gbrv", "xc": "PBE", "potentials_version": 1.3999999999999999, "calculator_version": 5.0999999999999996, "project": "tmfp06d", "frequency": 1873.1109831345036, "time": 9430.3827538490295, "dw": 400, "name": "CoH"}


unique_id: e3449667070f9a8df573e7ee12df21da
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": false, "potentials": "gbrv", "xc": "PBE", "potentials_version": 1.3999999999999999, "calculator_version": 5.0999999999999996, "project": "tmfp06d", "frequency": 640.64649025442156, "time": 6013.1360261440277, "dw": 400, "name": "Cr2"}


unique_id: 319474de54a9c6327621c12aa3d5473d
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": false, "potentials": "gbrv", "xc": "PBE", "potentials_version": 1.3999999999999999, "calculator_version": 5.0999999999999996, "project": "tmfp06d", "frequency": 869.64356707329046, "time": 16999.535789012909, "dw": 400, "name": "CoO"}


unique_id: 28526c711df95a5ae482a1f895af5a83
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": true, "potentials": "gbrv", "xc": "PBE", "potentials_version": 1.3999999999999999, "calculator_version": 5.0999999999999996, "project": "tmfp06d", "frequency": 406.41755277546747, "time": 12824.794083118439, "dw": 400, "name": "Co2"}


unique_id: b4c45f02a4dac88f7f39de12a5096b93
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": false, "potentials": "gbrv", "xc": "PBE", "potentials_version": 1.3999999999999999, "calculator_version": 5.0999999999999996, "project": "tmfp06d", "frequency": 652.43388353226817, "time": 6126.8387880325317, "dw": 400, "name": "CrF"}


unique_id: b85ad774e7230861d3eb3710bac83916
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": true, "potentials": "gbrv", "xc": "PBE", "potentials_version": 1.3999999999999999, "calculator_version": 5.0999999999999996, "project": "tmfp06d", "frequency": 807.7465871009581, "time": 7148.6669809818268, "dw": 400, "name": "Cr2"}


unique_id: 7782dafc231a2c49cbdca07706820f9c
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": false, "potentials": "gbrv", "xc": "PBE", "potentials_version": 1.3999999999999999, "calculator_version": 5.0999999999999996, "project": "tmfp06d", "frequency": 1635.6802830616198, "time": 4752.2261610031128, "dw": 400, "name": "CrH"}


unique_id: be466c40a9b5dd5324b03bbca270f407
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": true, "potentials": "gbrv", "xc": "PBE", "potentials_version": 1.3999999999999999, "calculator_version": 5.0999999999999996, "project": "tmfp06d", "frequency": 644.15878368877907, "time": 6551.9868359565735, "dw": 400, "name": "CrF"}


unique_id: 933486bfcce5f3bdcbb4d3ea01a231ad
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": true, "potentials": "gbrv", "xc": "PBE", "potentials_version": 1.3999999999999999, "calculator_version": 5.0999999999999996, "project": "tmfp06d", "frequency": 1661.5665722760079, "time": 5087.5091581344604, "dw": 400, "name": "CrH"}


unique_id: 5bc4783bb41fc93965a6fd1b028eb027
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": false, "potentials": "gbrv", "xc": "PBE", "potentials_version": 1.3999999999999999, "project": "tmfp06d", "time": 1011.0560960769653, "calculator_version": 5.0999999999999996, "dw": 400, "name": "Cu"}


unique_id: 9145906fa2d6b8c7471439bb3fb574ef
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": false, "potentials": "gbrv", "xc": "PBE", "potentials_version": 1.3999999999999999, "calculator_version": 5.0999999999999996, "project": "tmfp06d", "frequency": 961.74934931304506, "time": 7916.9038670063019, "dw": 400, "name": "CrN"}


unique_id: 8af3f1f9009f58d5cbaf488e4002e529
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": true, "potentials": "gbrv", "xc": "PBE", "potentials_version": 1.3999999999999999, "calculator_version": 5.0999999999999996, "project": "tmfp06d", "frequency": 890.60831480989975, "time": 18169.559190988541, "dw": 400, "name": "CoO"}


unique_id: efc23aea008e9cbce8715b035a36223b
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": false, "potentials": "gbrv", "xc": "PBE", "potentials_version": 1.3999999999999999, "project": "tmfp06d", "time": 141.90091013908386, "calculator_version": 5.0999999999999996, "dw": 400, "name": "F"}


unique_id: dfe1f3521c625114b9117cedd988e58b
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": false, "potentials": "gbrv", "xc": "PBE", "potentials_version": 1.3999999999999999, "calculator_version": 5.0999999999999996, "project": "tmfp06d", "frequency": 915.45039361874933, "time": 7407.4256680011749, "dw": 400, "name": "CrO"}


unique_id: 57454b733075676b9cb7e6c047fb6bab
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": false, "potentials": "gbrv", "xc": "PBE", "potentials_version": 1.3999999999999999, "calculator_version": 5.0999999999999996, "project": "tmfp06d", "frequency": 624.79231231059964, "time": 3700.2972810268402, "dw": 400, "name": "CuF"}


unique_id: c372f2530ad81d598e5359907c8e46ce
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": false, "potentials": "gbrv", "xc": "PBE", "potentials_version": 1.3999999999999999, "project": "tmfp06d", "time": 1905.8995690345764, "calculator_version": 5.0999999999999996, "dw": 400, "name": "Fe"}


unique_id: 1355226a07df0d086fad52bc20fd308d
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": false, "potentials": "gbrv", "xc": "PBE", "potentials_version": 1.3999999999999999, "calculator_version": 5.0999999999999996, "project": "tmfp06d", "frequency": 268.80837290900035, "time": 8172.7626829147339, "dw": 400, "name": "Cu2"}


unique_id: 8aa23adf5bf6e463870057ac00a10968
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": true, "potentials": "gbrv", "xc": "PBE", "potentials_version": 1.3999999999999999, "calculator_version": 5.0999999999999996, "project": "tmfp06d", "frequency": 624.79231231059964, "time": 3420.7476949691772, "dw": 400, "name": "CuF"}


unique_id: fdc0e6e02738d1af3c1de87ee76f7852
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": true, "potentials": "gbrv", "xc": "PBE", "potentials_version": 1.3999999999999999, "calculator_version": 5.0999999999999996, "project": "tmfp06d", "frequency": 1019.0228833064298, "time": 8742.7527649402618, "dw": 400, "name": "CrN"}


unique_id: 2ad8fb1a9758f576efa8384188d2e47a
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": false, "potentials": "gbrv", "xc": "PBE", "potentials_version": 1.3999999999999999, "project": "tmfp06d", "time": 113.09633803367615, "calculator_version": 5.0999999999999996, "dw": 400, "name": "H"}


unique_id: 88df1bda427ecb033a3c0f35684c6473
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": false, "potentials": "gbrv", "xc": "PBE", "potentials_version": 1.3999999999999999, "project": "tmfp06d", "time": 376.40566492080688, "calculator_version": 5.0999999999999996, "dw": 400, "name": "K"}


unique_id: e6648ae3c9d4a9b817ab652a504e9ed8
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": false, "potentials": "gbrv", "xc": "PBE", "potentials_version": 1.3999999999999999, "calculator_version": 5.0999999999999996, "project": "tmfp06d", "frequency": 656.68159793813402, "time": 7827.556636095047, "dw": 400, "name": "CuO"}


unique_id: 927bf2e3e18866be9ae624f3fff2c27e
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": false, "potentials": "gbrv", "xc": "PBE", "potentials_version": 1.3999999999999999, "calculator_version": 5.0999999999999996, "project": "tmfp06d", "frequency": 1951.1273727585917, "time": 9117.4445719718933, "dw": 400, "name": "CuH"}


unique_id: ec2eac74ccff9d2b74536c3f4d759a30
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": true, "potentials": "gbrv", "xc": "PBE", "potentials_version": 1.3999999999999999, "calculator_version": 5.0999999999999996, "project": "tmfp06d", "frequency": 926.56325181038835, "time": 7801.3242840766907, "dw": 400, "name": "CrO"}


unique_id: ac7dbf54cb093edf01df548d7be2db42
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": false, "potentials": "gbrv", "xc": "PBE", "potentials_version": 1.3999999999999999, "project": "tmfp06d", "time": 275.24664688110352, "calculator_version": 5.0999999999999996, "dw": 400, "name": "Mn"}


unique_id: e3af321eb22256e38cb4e0e18a47df3e
username: dulak
data: null
key_value_pairs:
  {"name": "Mn2", "relativistic": 1.0, "calculator_version": 5.0999999999999996, "xc": "PBE", "potentials_version": 1.3999999999999999, "project": "tmfp06d", "potentials": "gbrv", "dw": 400, "pw": 100}


unique_id: 8a76f0f8a9137e368c8fd729479d9800
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": false, "potentials": "gbrv", "xc": "PBE", "potentials_version": 1.3999999999999999, "calculator_version": 5.0999999999999996, "project": "tmfp06d", "frequency": 415.84903176608123, "time": 4126.6223578453064, "dw": 400, "name": "KF"}


unique_id: 98adde993177ed4d34ed43069050f46b
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": false, "potentials": "gbrv", "xc": "PBE", "potentials_version": 1.3999999999999999, "calculator_version": 5.0999999999999996, "project": "tmfp06d", "frequency": 877.71670458829237, "time": 3946.6113710403442, "dw": 400, "name": "KH"}


unique_id: bc6af3137592cd2647f9ef69a5c1a12b
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": false, "potentials": "gbrv", "xc": "PBE", "potentials_version": 1.3999999999999999, "calculator_version": 5.0999999999999996, "project": "tmfp06d", "frequency": 644.39363931305661, "time": 6325.8001980781555, "dw": 400, "name": "FeF"}


unique_id: 80d237b9b75c116226ca48491528c9ed
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": false, "potentials": "gbrv", "xc": "PBE", "potentials_version": 1.3999999999999999, "calculator_version": 5.0999999999999996, "project": "tmfp06d", "frequency": 1614.1975818075264, "time": 6296.5773499011993, "dw": 400, "name": "FeH"}


unique_id: ea49e10db69ca068017801473ba6554a
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": false, "potentials": "gbrv", "xc": "PBE", "potentials_version": 1.3999999999999999, "calculator_version": 5.0999999999999996, "project": "tmfp06d", "frequency": 388.8991909888469, "time": 8696.1867680549622, "dw": 400, "name": "Fe2"}


unique_id: 57a615c4539ef5123d0fa07818a1e534
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": false, "potentials": "gbrv", "xc": "PBE", "potentials_version": 1.3999999999999999, "calculator_version": 5.0999999999999996, "project": "tmfp06d", "frequency": 143.50259832295913, "time": 7620.7335448265076, "dw": 400, "name": "K2"}


unique_id: 7dcc5c022f621ed8dac44207b02d3d28
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": false, "potentials": "gbrv", "xc": "PBE", "potentials_version": 1.3999999999999999, "calculator_version": 5.0999999999999996, "project": "tmfp06d", "frequency": 895.38684901717374, "time": 7808.1915559768677, "dw": 400, "name": "FeO"}


unique_id: 83623dd97019458d2eb9baba5125e286
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": true, "potentials": "gbrv", "xc": "PBE", "potentials_version": 1.3999999999999999, "calculator_version": 5.0999999999999996, "project": "tmfp06d", "frequency": 431.65502625009651, "time": 4422.454540014267, "dw": 400, "name": "KF"}


unique_id: dd4cb5b784797b9f6e56cf23a5340b9f
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": true, "potentials": "gbrv", "xc": "PBE", "potentials_version": 1.3999999999999999, "calculator_version": 5.0999999999999996, "project": "tmfp06d", "frequency": 1019.6842642138133, "time": 5108.6524801254272, "dw": 400, "name": "KH"}


unique_id: 8cb76360139d4f98c84fd47d805820e5
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": true, "potentials": "gbrv", "xc": "PBE", "potentials_version": 1.3999999999999999, "calculator_version": 5.0999999999999996, "project": "tmfp06d", "frequency": 291.94493987004967, "time": 11206.459980010986, "dw": 400, "name": "Cu2"}


unique_id: 264abdff84d056cd5202a2d89532134f
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": false, "potentials": "gbrv", "xc": "PBE", "potentials_version": 1.3999999999999999, "project": "tmfp06d", "time": 125.11166405677795, "calculator_version": 5.0999999999999996, "dw": 400, "name": "N"}


unique_id: 209e8815e033a03dd70559b919050368
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": true, "potentials": "gbrv", "xc": "PBE", "potentials_version": 1.3999999999999999, "calculator_version": 5.0999999999999996, "project": "tmfp06d", "frequency": 2004.4056221613391, "time": 8234.2817039489746, "dw": 400, "name": "CuH"}


unique_id: 1998b78c60f86d44bddb624bfc770d3e
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": true, "potentials": "gbrv", "xc": "PBE", "potentials_version": 1.3999999999999999, "calculator_version": 5.0999999999999996, "project": "tmfp06d", "frequency": 697.08698760314894, "time": 9217.8357210159302, "dw": 400, "name": "CuO"}


unique_id: 8e320b221817b68352fd19c74c7adbe7
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": false, "potentials": "gbrv", "xc": "PBE", "potentials_version": 1.3999999999999999, "calculator_version": 5.0999999999999996, "project": "tmfp06d", "frequency": 51.296219865697864, "time": 8859.3542509078979, "dw": 400, "name": "Mn2"}


unique_id: 2f5341eb1f7a9d843a50618214b0954b
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": true, "potentials": "gbrv", "xc": "PBE", "potentials_version": 1.3999999999999999, "calculator_version": 5.0999999999999996, "project": "tmfp06d", "frequency": 640.07041654257489, "time": 6805.9062769412994, "dw": 400, "name": "FeF"}


unique_id: 6f7f43e616dba6e549d706fcaa7b9697
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": true, "potentials": "gbrv", "xc": "PBE", "potentials_version": 1.3999999999999999, "calculator_version": 5.0999999999999996, "project": "tmfp06d", "frequency": 1832.6571927729701, "time": 6898.1959631443024, "dw": 400, "name": "FeH"}


unique_id: bff31947b68920a42ffeca59f3c06524
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": false, "potentials": "gbrv", "xc": "PBE", "potentials_version": 1.3999999999999999, "project": "tmfp06d", "time": 179.71957492828369, "calculator_version": 5.0999999999999996, "dw": 400, "name": "O"}


unique_id: b2b901ce904e0ffb046eb77708fc06f0
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": false, "potentials": "gbrv", "xc": "PBE", "potentials_version": 1.3999999999999999, "calculator_version": 5.0999999999999996, "project": "tmfp06d", "frequency": 1480.6722470468803, "time": 4590.3542160987854, "dw": 400, "name": "MnH"}


unique_id: a55ec7626750892efd15590c9a0809e8
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": false, "potentials": "gbrv", "xc": "PBE", "potentials_version": 1.3999999999999999, "project": "tmfp06d", "time": 694.81755590438843, "calculator_version": 5.0999999999999996, "dw": 400, "name": "Sc"}


unique_id: 9024ce4b6c57657877ae1a866a15ad7b
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": false, "potentials": "gbrv", "xc": "PBE", "potentials_version": 1.3999999999999999, "project": "tmfp06d", "time": 4010.655088186264, "calculator_version": 5.0999999999999996, "dw": 400, "name": "Ni"}


unique_id: fa557a68b12082c07759bf561bf7a2d7
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": true, "potentials": "gbrv", "xc": "PBE", "potentials_version": 1.3999999999999999, "calculator_version": 5.0999999999999996, "project": "tmfp06d", "frequency": 410.32230748707713, "time": 9972.3584680557251, "dw": 400, "name": "Fe2"}


unique_id: e8a1100753e2fabaa1e9a07a2f35a8e0
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": true, "potentials": "gbrv", "xc": "PBE", "potentials_version": 1.3999999999999999, "calculator_version": 5.0999999999999996, "project": "tmfp06d", "frequency": 109.85063701818152, "time": 8994.4686210155487, "dw": 400, "name": "K2"}


unique_id: 1dbc2900c4653b3ac6237fd941de0e1d
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": false, "potentials": "gbrv", "xc": "PBE", "potentials_version": 1.3999999999999999, "calculator_version": 5.0999999999999996, "project": "tmfp06d", "frequency": 864.40524645295727, "time": 7042.8157260417938, "dw": 400, "name": "MnO"}


unique_id: 12c3c1f204db4eba4af46afab8175845
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": false, "potentials": "gbrv", "xc": "PBE", "potentials_version": 1.3999999999999999, "calculator_version": 5.0999999999999996, "project": "tmfp06d", "frequency": 716.19482310873457, "time": 3100.0326421260834, "dw": 400, "name": "ScF"}


unique_id: 8e95171f4a68e5e5f72962109e5d6145
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": true, "potentials": "gbrv", "xc": "PBE", "potentials_version": 1.3999999999999999, "calculator_version": 5.0999999999999996, "project": "tmfp06d", "frequency": 1532.8391585295276, "time": 4929.9227750301361, "dw": 400, "name": "MnH"}


unique_id: b01b7b63c1f47f4c29e44adf5d2b5e47
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": true, "potentials": "gbrv", "xc": "PBE", "potentials_version": 1.3999999999999999, "calculator_version": 5.0999999999999996, "project": "tmfp06d", "frequency": 935.43335380894996, "time": 11142.072350025177, "dw": 400, "name": "FeO"}


unique_id: 88428fed0638c28670efc6a7a78f1fc0
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": false, "potentials": "gbrv", "xc": "PBE", "potentials_version": 1.3999999999999999, "calculator_version": 5.0999999999999996, "project": "tmfp06d", "frequency": 1532.985126459818, "time": 2621.7342090606689, "dw": 400, "name": "ScH"}


unique_id: 8b4b0ebe46e884eee53da8592b8115d4
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": false, "potentials": "gbrv", "xc": "PBE", "potentials_version": 1.3999999999999999, "project": "tmfp06d", "time": 792.35790491104126, "calculator_version": 5.0999999999999996, "dw": 400, "name": "Ti"}


unique_id: 295fd19451a85097a8e21d1da117eb6f
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": false, "potentials": "gbrv", "xc": "PBE", "potentials_version": 1.3999999999999999, "calculator_version": 5.0999999999999996, "project": "tmfp06d", "frequency": 217.72781236133756, "time": 6769.8685450553894, "dw": 400, "name": "Sc2"}


unique_id: 8abe4dd652148345fc527e3dab9de4ad
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": true, "potentials": "gbrv", "xc": "PBE", "potentials_version": 1.3999999999999999, "calculator_version": 5.0999999999999996, "project": "tmfp06d", "frequency": 720.45020409963445, "time": 3336.8831028938293, "dw": 400, "name": "ScF"}


unique_id: fd010cde2ab5961ad5afdb3dab040de0
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": false, "potentials": "gbrv", "xc": "PBE", "potentials_version": 1.3999999999999999, "calculator_version": 5.0999999999999996, "project": "tmfp06d", "frequency": 838.34468712599505, "time": 8078.3777689933777, "dw": 400, "name": "NiO"}


unique_id: b1e90dea87bb6140d9c6a151420660e1
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": true, "potentials": "gbrv", "xc": "PBE", "potentials_version": 1.3999999999999999, "calculator_version": 5.0999999999999996, "project": "tmfp06d", "frequency": 1592.0671241208443, "time": 3155.7784869670868, "dw": 400, "name": "ScH"}


unique_id: 717cf30f00097fad2c128630a912b1d6
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": true, "potentials": "gbrv", "xc": "PBE", "potentials_version": 1.3999999999999999, "calculator_version": 5.0999999999999996, "project": "tmfp06d", "frequency": 915.0097738338809, "time": 7515.5435020923615, "dw": 400, "name": "MnO"}


unique_id: af2133b0ed2a63b915685ac14211242b
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": false, "potentials": "gbrv", "xc": "PBE", "potentials_version": 1.3999999999999999, "calculator_version": 5.0999999999999996, "project": "tmfp06d", "frequency": 975.72354290017267, "time": 6551.4334168434143, "dw": 400, "name": "ScO"}


unique_id: c5944d4e483c43f53db6e7aa40576fef
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": false, "potentials": "gbrv", "xc": "PBE", "potentials_version": 1.3999999999999999, "calculator_version": 5.0999999999999996, "project": "tmfp06d", "frequency": 893.01612693306356, "time": 8693.5050840377808, "dw": 400, "name": "ScN"}


unique_id: 64ad7372e53d9866a66c666069629de7
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": false, "potentials": "gbrv", "xc": "PBE", "potentials_version": 1.3999999999999999, "calculator_version": 5.0999999999999996, "project": "tmfp06d", "frequency": 413.01972843869646, "time": 6661.034187078476, "dw": 400, "name": "Ti2"}


unique_id: f9e8b1a18e912e334b352091927472b5
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": false, "potentials": "gbrv", "xc": "PBE", "potentials_version": 1.3999999999999999, "calculator_version": 5.0999999999999996, "project": "tmfp06d", "frequency": 592.27002572207698, "time": 6180.4756979942322, "dw": 400, "name": "TiF"}


unique_id: 13de007aa411721ed1a73a608a5cbbf0
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": true, "potentials": "gbrv", "xc": "PBE", "potentials_version": 1.3999999999999999, "calculator_version": 5.0999999999999996, "project": "tmfp06d", "frequency": 255.31777031435925, "time": 7932.6626369953156, "dw": 400, "name": "Sc2"}


unique_id: 165b565c8817723b582c6e06bb9b4555
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": true, "potentials": "gbrv", "xc": "PBE", "potentials_version": 1.3999999999999999, "calculator_version": 5.0999999999999996, "project": "tmfp06d", "frequency": 876.78525161415018, "time": 8050.0497879981995, "dw": 400, "name": "NiO"}


unique_id: bf3e522e0e18ade34071ad50c5f34f53
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": false, "potentials": "gbrv", "xc": "PBE", "potentials_version": 1.3999999999999999, "calculator_version": 5.0999999999999996, "project": "tmfp06d", "frequency": 1115.985211893485, "time": 6583.7851288318634, "dw": 400, "name": "TiN"}


unique_id: dcae46656e4d993f71b631e057a44b12
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": false, "potentials": "gbrv", "xc": "PBE", "potentials_version": 1.3999999999999999, "project": "tmfp06d", "time": 2844.8799250125885, "calculator_version": 5.0999999999999996, "dw": 400, "name": "V"}


unique_id: a2e679be23e6158828d725c09bb78a45
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": true, "potentials": "gbrv", "xc": "PBE", "potentials_version": 1.3999999999999999, "calculator_version": 5.0999999999999996, "project": "tmfp06d", "frequency": 980.03676321791647, "time": 7022.8861680030823, "dw": 400, "name": "ScO"}


unique_id: cb99339c6d442db5c5f1996e5883febd
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": false, "potentials": "gbrv", "xc": "PBE", "potentials_version": 1.3999999999999999, "calculator_version": 5.0999999999999996, "project": "tmfp06d", "frequency": 294.8550854346297, "time": 21643.699436903, "dw": 400, "name": "Ni2"}


unique_id: 4911d1cc8c4ff3e941d692d34735c9b7
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": true, "potentials": "gbrv", "xc": "PBE", "potentials_version": 1.3999999999999999, "calculator_version": 5.0999999999999996, "project": "tmfp06d", "frequency": 454.90169729759322, "time": 7260.3981800079346, "dw": 400, "name": "Ti2"}


unique_id: 23815727c85e265b33a4686b6a0cb3e8
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": true, "potentials": "gbrv", "xc": "PBE", "potentials_version": 1.3999999999999999, "calculator_version": 5.0999999999999996, "project": "tmfp06d", "frequency": 697.71744040850706, "time": 6790.9585618972778, "dw": 400, "name": "TiF"}


unique_id: 3119202b5a960742de8ea23a677c0cc1
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": false, "potentials": "gbrv", "xc": "PBE", "potentials_version": 1.3999999999999999, "project": "tmfp06d", "time": 120.47515296936035, "calculator_version": 5.0999999999999996, "dw": 400, "name": "Zn"}


unique_id: a1a984f77634d13843f1a14669b71234
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": false, "potentials": "gbrv", "xc": "PBE", "potentials_version": 1.3999999999999999, "calculator_version": 5.0999999999999996, "project": "tmfp06d", "frequency": 1018.0741595991003, "time": 5618.7424869537354, "dw": 400, "name": "TiO"}


unique_id: 991937e2098fc34f31ebfd9c24f87f53
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": true, "potentials": "gbrv", "xc": "PBE", "potentials_version": 1.3999999999999999, "calculator_version": 5.0999999999999996, "project": "tmfp06d", "frequency": 923.40315579030289, "time": 9263.1057469844818, "dw": 400, "name": "ScN"}


unique_id: 7c1916d2be81600faf7d80f165cb8f72
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": false, "potentials": "gbrv", "xc": "PBE", "potentials_version": 1.3999999999999999, "calculator_version": 5.0999999999999996, "project": "tmfp06d", "frequency": 1598.4518147251351, "time": 14174.852504014969, "dw": 400, "name": "TiH"}


unique_id: 8890137c49377250dedda910eb78d9fc
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": false, "potentials": "gbrv", "xc": "PBE", "potentials_version": 1.3999999999999999, "calculator_version": 5.0999999999999996, "project": "tmfp06d", "frequency": 228.15285738986771, "time": 3238.0836930274963, "dw": 400, "name": "Zn2"}


unique_id: 8e07ee3877e5879ff9c5670ee99056af
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": true, "potentials": "gbrv", "xc": "PBE", "potentials_version": 1.3999999999999999, "calculator_version": 5.0999999999999996, "project": "tmfp06d", "frequency": 1106.7713164471154, "time": 7163.1243159770966, "dw": 400, "name": "TiN"}


unique_id: cd39a7c644f717eb604b77862a5e5e46
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": false, "potentials": "gbrv", "xc": "PBE", "potentials_version": 1.3999999999999999, "calculator_version": 5.0999999999999996, "project": "tmfp06d", "frequency": 598.91027879701858, "time": 6724.2898070812225, "dw": 400, "name": "V2"}


unique_id: 31e449f5ae00823f71f131ebafa9fea5
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": false, "potentials": "gbrv", "xc": "PBE", "potentials_version": 1.3999999999999999, "calculator_version": 5.0999999999999996, "project": "tmfp06d", "frequency": 1937.068708813556, "time": 27546.21374797821, "dw": 400, "name": "NiH"}


unique_id: 58beadd721e01bc992622ef4e748e333
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": false, "potentials": "gbrv", "xc": "PBE", "potentials_version": 1.3999999999999999, "calculator_version": 5.0999999999999996, "project": "tmfp06d", "frequency": 1047.0697266303698, "time": 7385.0387659072876, "dw": 400, "name": "VN"}


unique_id: d23e93d4ff3841a1688916f1bd39fa1c
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": true, "potentials": "gbrv", "xc": "PBE", "potentials_version": 1.3999999999999999, "calculator_version": 5.0999999999999996, "project": "tmfp06d", "frequency": 1020.4468184000866, "time": 5608.029669046402, "dw": 400, "name": "TiO"}


unique_id: 9061e4c7c73a54ed01fd1a356ef01d50
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": false, "potentials": "gbrv", "xc": "PBE", "potentials_version": 1.3999999999999999, "calculator_version": 5.0999999999999996, "project": "tmfp06d", "frequency": 1025.8165744469736, "time": 6880.7350039482117, "dw": 400, "name": "VO"}


unique_id: 7b9198f2a5ad0d8af2f0214b0c7b8514
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": false, "potentials": "gbrv", "xc": "PBE", "potentials_version": 1.3999999999999999, "calculator_version": 5.0999999999999996, "project": "tmfp06d", "frequency": 696.70290621895754, "time": 6145.5868818759918, "dw": 400, "name": "ZnO"}


unique_id: 6fc74f7fed4b0c4414784e78a6e96f0a
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": true, "potentials": "gbrv", "xc": "PBE", "potentials_version": 1.3999999999999999, "calculator_version": 5.0999999999999996, "project": "tmfp06d", "frequency": 143.94204782254414, "time": 6060.7782161235809, "dw": 400, "name": "Zn2"}


unique_id: a84ac7d0ebf621fe10db74b16a8cadbd
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": true, "potentials": "gbrv", "xc": "PBE", "potentials_version": 1.3999999999999999, "calculator_version": 5.0999999999999996, "project": "tmfp06d", "frequency": 652.4394318786857, "time": 7151.8053369522095, "dw": 400, "name": "V2"}


unique_id: 9f96b60417e4b4fcab44db4ff6e12ad5
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": true, "potentials": "gbrv", "xc": "PBE", "potentials_version": 1.3999999999999999, "calculator_version": 5.0999999999999996, "project": "tmfp06d", "frequency": 766.40255631860111, "time": 6739.0675039291382, "dw": 400, "name": "ZnO"}


unique_id: e3ec3ab38a7edd81af637ab2d3cab5da
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": true, "potentials": "gbrv", "xc": "PBE", "potentials_version": 1.3999999999999999, "calculator_version": 5.0999999999999996, "project": "tmfp06d", "frequency": 1030.8588622891873, "time": 7406.710018157959, "dw": 400, "name": "VO"}


unique_id: 7862e7bf727ee5788dbaf9d56c84a6ba
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": true, "potentials": "gbrv", "xc": "PBE", "potentials_version": 1.3999999999999999, "calculator_version": 5.0999999999999996, "project": "tmfp06d", "frequency": 1104.4456051303227, "time": 8601.9032599925995, "dw": 400, "name": "VN"}


unique_id: 373a3be0a30701a5ad0e6ec329521a63
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": true, "potentials": "gbrv", "xc": "PBE", "potentials_version": 1.3999999999999999, "calculator_version": 5.0999999999999996, "project": "tmfp06d", "frequency": 1696.5455788331087, "time": 14996.26588010788, "dw": 400, "name": "TiH"}


unique_id: 3eee23be38f9d52ec4d000b050f3f203
username: dulak
calculator: espresso
calculator_parameters: {}
data: null
key_value_pairs:
  {"pw": 100, "relativistic": 1.0, "relaxed": true, "potentials": "gbrv", "xc": "PBE", "potentials_version": 1.3999999999999999, "calculator_version": 5.0999999999999996, "project": "tmfp06d", "frequency": 322.74673350355243, "time": 20682.332125902176, "dw": 400, "name": "Ni2"}


