# systems

unique_id: 7241e6688f29ab2461c49e4438185bf8
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "rocksalt", "niter": 24, "kptdensity": 12.0, "e": 1088.0, "name": "PbO", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 0.98999999999999999, "time": 2011.5587401390076}


unique_id: ac8814db03babe4c340dca5001e0bf41
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "rocksalt", "niter": 39, "kptdensity": 12.0, "e": 1088.0, "name": "ZnO", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.02, "time": 3616.6604130268097}


unique_id: b659b3f924b71a0200d23911f4bf9591
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "rocksalt", "niter": 27, "kptdensity": 12.0, "e": 1088.0, "name": "ReO", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.02, "time": 2417.5837330818176}


unique_id: 192c05404397606493c4fca72f0025d8
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "rocksalt", "niter": 19, "kptdensity": 12.0, "e": 1088.0, "name": "LiF", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.02, "time": 773.80466485023499}


unique_id: 4d9b24bd039929d3e6e85dde7154352f
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "rocksalt", "niter": 16, "kptdensity": 12.0, "e": 1088.0, "name": "AlAs", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.02, "time": 850.14894604682922}


unique_id: c267efe59a39fa9a3fe76ef7f52e1b4d
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "rocksalt", "niter": 31, "kptdensity": 12.0, "e": 1088.0, "name": "SrSe", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 0.98999999999999999, "time": 2252.7111411094666}


unique_id: 6ed365dce33cebcb2acac15f689bdffa
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "rocksalt", "niter": 15, "kptdensity": 12.0, "e": 1088.0, "name": "LiBr", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.01, "time": 816.26856994628906}


unique_id: c0bbafcda8be27a5ea156669fea0d532
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "rocksalt", "niter": 22, "kptdensity": 12.0, "e": 1088.0, "name": "AuO", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.02, "time": 2114.290421962738}


unique_id: 459221610da6752ce41ff10dfd89f391
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "rocksalt", "niter": 20, "kptdensity": 12.0, "e": 1088.0, "name": "NaF", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.0, "time": 1231.5723779201508}


unique_id: 375956290ce05c0b5bef65e5364c3229
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "rocksalt", "niter": 33, "kptdensity": 12.0, "e": 1088.0, "name": "SnO", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.0, "time": 2521.9495370388031}


unique_id: f8d25ce34620c8b1209f8108cd485539
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "rocksalt", "niter": 27, "kptdensity": 12.0, "e": 1088.0, "name": "SrTe", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 0.98999999999999999, "time": 2478.2906398773193}


unique_id: 6ab5211c62fb042bd5152ab23eb18267
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "rocksalt", "niter": 17, "kptdensity": 12.0, "e": 1088.0, "name": "LiI", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.01, "time": 1016.4878239631653}


unique_id: a938203b943fa2fb1ea14ddb9998bf15
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "rocksalt", "niter": 37, "kptdensity": 12.0, "e": 1088.0, "name": "AlBi", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 0.98999999999999999, "time": 3081.2131381034851}


unique_id: 9545ac664824242e9370dd13c567a1d0
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "rocksalt", "niter": 29, "kptdensity": 12.0, "e": 1088.0, "name": "SrS", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.0, "time": 1964.9298841953278}


unique_id: d662e96ae3f6337c0c762990eb790fcc
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "rocksalt", "niter": 24, "kptdensity": 12.0, "e": 1088.0, "name": "TlN", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.01, "time": 2391.9026501178741}


unique_id: d128d73c320dbc8016da7a4e1c29672a
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "rocksalt", "niter": 18, "kptdensity": 12.0, "e": 1088.0, "name": "NaBr", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.0, "time": 1540.7152841091156}


unique_id: 56998b569fe1ed7090e9bd7e76de777e
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "rocksalt", "niter": 24, "kptdensity": 12.0, "e": 1088.0, "name": "InN", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.02, "time": 2325.9203081130981}


unique_id: 38ef46756ae9f5357d4556f57a29d3f3
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "rocksalt", "niter": 14, "kptdensity": 12.0, "e": 1088.0, "name": "LiBr", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.02, "time": 989.19763994216919}


unique_id: 368e35b74f135918779bcf47e492c114
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "rocksalt", "niter": 23, "kptdensity": 12.0, "e": 1088.0, "name": "PtO", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.02, "time": 2122.6022191047668}


unique_id: 13414ea3f97dedbbb53a10c87e0656c1
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "rocksalt", "niter": 28, "kptdensity": 12.0, "e": 1088.0, "name": "NaI", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 0.98999999999999999, "time": 2531.3381080627441}


unique_id: 454bbe74cd9155e8dc2bed077d1e65e2
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "rocksalt", "niter": 18, "kptdensity": 12.0, "e": 1088.0, "name": "LiI", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.02, "time": 1086.567950963974}


unique_id: 5451615e51f752c4a52c25d58e82c82d
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "rocksalt", "niter": 31, "kptdensity": 12.0, "e": 1088.0, "name": "AlSb", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 0.98999999999999999, "time": 3604.8868591785431}


unique_id: 833b1eed0f8e8057226c866b69c686b9
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "rocksalt", "niter": 24, "kptdensity": 12.0, "e": 1088.0, "name": "NaF", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.01, "time": 1548.7668030261993}


unique_id: 9954218f9198fbb98b206989eaa50982
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "rocksalt", "niter": 31, "kptdensity": 12.0, "e": 1088.0, "name": "PbO", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.0, "time": 2436.3190569877625}


unique_id: 662424723ad2660c5fd6fc44b1ccce00
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "rocksalt", "niter": 33, "kptdensity": 12.0, "e": 1088.0, "name": "SrSe", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.0, "time": 2466.5341429710388}


unique_id: e67d7c0dc315c88a9d1ff093ec40fc93
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "rocksalt", "niter": 34, "kptdensity": 12.0, "e": 1088.0, "name": "HgO", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.0, "time": 4497.8301258087158}


unique_id: 21598f463d26ee896a304abdab82143d
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "rocksalt", "niter": 24, "kptdensity": 12.0, "e": 1088.0, "name": "SrTe", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.0, "time": 2228.5361399650574}


unique_id: 2c6d2da4520c098d0f8d9d2dacf7362b
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "rocksalt", "niter": 30, "kptdensity": 12.0, "e": 1088.0, "name": "SnO", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.01, "time": 2372.6671130657196}


unique_id: 273c5bf63c710bf7171cf773eae885b6
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "rocksalt", "niter": 19, "kptdensity": 12.0, "e": 1088.0, "name": "NaBr", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.01, "time": 1659.3540780544281}


unique_id: 9839f4d10576648a8939d816daaa2fb8
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "rocksalt", "niter": 28, "kptdensity": 12.0, "e": 1088.0, "name": "SrS", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.01, "time": 2029.73814702034}


unique_id: 70eb7fe85a2a4eac8b58e14e4c11fba8
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "rocksalt", "niter": 23, "kptdensity": 12.0, "e": 1088.0, "name": "AlBi", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.0, "time": 2210.8512709140778}


unique_id: eead922df447f114d43dc3c62bcdb920
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "rocksalt", "niter": 21, "kptdensity": 12.0, "e": 1088.0, "name": "TlN", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.02, "time": 2134.2061560153961}


unique_id: 2ebe88778361286e36f1e88d3481cf6b
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "rocksalt", "niter": 20, "kptdensity": 12.0, "e": 1088.0, "name": "NaI", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.0, "time": 1834.2890639305115}


unique_id: e0c54bc71779d9e770a341c7365dcf9a
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "rocksalt", "niter": 25, "kptdensity": 12.0, "e": 1088.0, "name": "NaF", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.02, "time": 2036.0718410015106}


unique_id: 94849ef4f4bfc78b20cbc7dff35bf5b3
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "rocksalt", "niter": 21, "kptdensity": 12.0, "e": 1088.0, "name": "SrS", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.02, "time": 1447.1959171295166}


unique_id: 8d1c9cbadb46388c94b860741e77fe62
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "rocksalt", "niter": 18, "kptdensity": 12.0, "e": 1088.0, "name": "NaBr", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.02, "time": 1575.3072321414948}


unique_id: efbe07066ecac965570777c41b8dae97
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "rocksalt", "niter": 31, "kptdensity": 12.0, "e": 1088.0, "name": "PbO", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.01, "time": 2576.2421669960022}


unique_id: c73357440650ec88ef42acdbe52a3250
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "rocksalt", "niter": 26, "kptdensity": 12.0, "e": 1088.0, "name": "SrSe", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.01, "time": 1922.0841929912567}


unique_id: f373b8970ed3f90dd9e5338d3c7a0d6c
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "rocksalt", "niter": 27, "kptdensity": 12.0, "e": 1088.0, "name": "AlSb", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.0, "time": 3109.4938838481903}


unique_id: 8e3fb6abfa0027e990f39eededbf9b47
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "rocksalt", "niter": 19, "kptdensity": 12.0, "e": 1088.0, "name": "NaI", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.01, "time": 1733.7228848934174}


unique_id: 65c099924fb9c246e6b4bfc38bab47ae
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "rocksalt", "niter": 27, "kptdensity": 12.0, "e": 1088.0, "name": "SrTe", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.01, "time": 2661.3942680358887}


unique_id: d2805c0b503bba191e82d3664e40b1db
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "rocksalt", "niter": 27, "kptdensity": 12.0, "e": 1088.0, "name": "AlBi", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.01, "time": 2654.5698821544647}


unique_id: dcac9a4934eca9988ca3f7e1bd29e410
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "rocksalt", "niter": 41, "kptdensity": 12.0, "e": 1088.0, "name": "SnO", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.02, "time": 3171.3050549030304}


unique_id: 22d42ceecb18cd99beb4db53f4f0e0d6
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 26, "kptdensity": 12.0, "e": 1088.0, "name": "AgAlGe", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 0.97999999999999998, "time": 4327.3234260082245}


unique_id: 6058cb58431ff0dc576297c37c6889ef
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "rocksalt", "niter": 32, "kptdensity": 12.0, "e": 1088.0, "name": "HgO", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.01, "time": 4050.8717710971832}


unique_id: 3840f0f58a4f9b24f29c18c10287f327
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "rocksalt", "niter": 29, "kptdensity": 12.0, "e": 1088.0, "name": "SrSe", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.02, "time": 2143.7002091407776}


unique_id: 16307a118dcc0f4337bf758ecae4cdd9
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "rocksalt", "niter": 26, "kptdensity": 12.0, "e": 1088.0, "name": "PbO", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.02, "time": 2313.508199930191}


unique_id: 80c4182be649c9294e81ae05cd9cd87c
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "rocksalt", "niter": 21, "kptdensity": 12.0, "e": 1088.0, "name": "NaI", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.02, "time": 2304.8554239273071}


unique_id: 156ef1b86d564b32eb971eeb24c14ac5
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "rocksalt", "niter": 22, "kptdensity": 12.0, "e": 1088.0, "name": "SrTe", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.02, "time": 2056.5208880901337}


unique_id: d8f35c1eeddcaf4dc5265449788402a8
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "rocksalt", "niter": 22, "kptdensity": 12.0, "e": 1088.0, "name": "AlBi", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.02, "time": 2225.6206538677216}


unique_id: 4db91a79f2da6c85d3d71d07ab2c8530
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "perovskite", "niter": 25, "kptdensity": 12.0, "e": 1088.0, "name": "NaNbO3", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 0.98999999999999999, "time": 13833.843669891357}


unique_id: 510be0641c4d79555f903923d415d20d
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "rocksalt", "niter": 30, "kptdensity": 12.0, "e": 1088.0, "name": "AlSb", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.01, "time": 3816.638601064682}


unique_id: d35a87fbf4f7e11785d7de48a009bcc0
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "perovskite", "niter": 38, "kptdensity": 12.0, "e": 1088.0, "name": "SrLiF3", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 0.98999999999999999, "time": 16865.693857908249}


unique_id: 5a77277278244098e02dc0abc4adb2a0
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 22, "kptdensity": 12.0, "e": 1088.0, "name": "AgAlGe", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 0.98999999999999999, "time": 3827.3264579772949}


unique_id: 25ad7c50b123574d2a83bcae64a7e95a
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "rocksalt", "niter": 29, "kptdensity": 12.0, "e": 1088.0, "name": "HgO", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.02, "time": 3765.1422159671783}


unique_id: 42aa10c864a7f3ab85deb2b71179e866
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 26, "kptdensity": 12.0, "e": 1088.0, "name": "AgAlSn", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 0.97999999999999998, "time": 6438.5624539852142}


unique_id: 4080e0adb461ffbffc481739fd686f73
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "rocksalt", "niter": 30, "kptdensity": 12.0, "e": 1088.0, "name": "AlSb", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.02, "time": 3676.511519908905}


unique_id: 375b539dc83c3f50a3fe10fca5d0ddfd
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 20, "kptdensity": 12.0, "e": 1088.0, "name": "AgAlGe", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.0, "time": 3509.4515900611877}


unique_id: a2300457dc0e485cb98e40699c9c316b
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "perovskite", "niter": 28, "kptdensity": 12.0, "e": 1088.0, "name": "KCuF3", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 0.97999999999999998, "time": 13186.745324134827}


unique_id: 25e7a8fef06e8639219404207d9bd049
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "perovskite", "niter": 27, "kptdensity": 12.0, "e": 1088.0, "name": "SrMoO3", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 0.97999999999999998, "time": 14238.15215086937}


unique_id: 182a1bf8cac1f08cd120e803cdb15bd6
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "perovskite", "niter": 29, "kptdensity": 12.0, "e": 1088.0, "name": "SrRhO3", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 0.97999999999999998, "time": 14318.124175071716}


unique_id: d83fd0c7c3456257c2cd898347a4e69d
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "perovskite", "niter": 31, "kptdensity": 12.0, "e": 1088.0, "name": "SrFeO3", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 0.97999999999999998, "time": 15567.700632095337}


unique_id: 819fbb3d83a1663022a37407235a94cc
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 29, "kptdensity": 12.0, "e": 1088.0, "name": "AgAlSn", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 0.98999999999999999, "time": 6905.8086149692535}


unique_id: a4fa3e2bbe8f79335ffa9d539d79f9d0
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 21, "kptdensity": 12.0, "e": 1088.0, "name": "AgAlGe", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.01, "time": 3462.9247040748596}


unique_id: 1a15d5baca4962e08cab7013a9d1f6c5
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "perovskite", "niter": 23, "kptdensity": 12.0, "e": 1088.0, "name": "SrWO3", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 0.97999999999999998, "time": 11973.548044919968}


unique_id: 501bc1a1df400c3d87411a3d8b96a4d1
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "perovskite", "niter": 30, "kptdensity": 12.0, "e": 1088.0, "name": "SrAgF3", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 0.97999999999999998, "time": 17242.32365489006}


unique_id: 389a8014b0fef7bfd192c3e99a8ee7f4
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "perovskite", "niter": 25, "kptdensity": 12.0, "e": 1088.0, "name": "SrIrO3", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 0.97999999999999998, "time": 12659.42206788063}


unique_id: 79b4c8363e5b6f29a37b09cb3ce1f5d0
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "perovskite", "niter": 36, "kptdensity": 12.0, "e": 1088.0, "name": "SrNbO3", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 0.97999999999999998, "time": 18817.940639972687}


unique_id: f80e1b3980a9048d1c328b740b2f105c
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "perovskite", "niter": 28, "kptdensity": 12.0, "e": 1088.0, "name": "SrRuO3", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 0.97999999999999998, "time": 18805.830647945404}


unique_id: 544b103bc439a335df84b40c892f5e64
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 20, "kptdensity": 12.0, "e": 1088.0, "name": "AgAlGe", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.02, "time": 3429.596549987793}


unique_id: 65aee258e6dc5d707228a301a4ee42ca
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "perovskite", "niter": 24, "kptdensity": 12.0, "e": 1088.0, "name": "NaNbO3", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.0, "time": 12957.995057106018}


unique_id: fba0859f9f133f6a8adb5de26520f778
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 29, "kptdensity": 12.0, "e": 1088.0, "name": "AgAlSn", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.0, "time": 6849.1172878742218}


unique_id: 6d3c1e4b7c308e47a7648c43be4bc8bf
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "perovskite", "niter": 39, "kptdensity": 12.0, "e": 1088.0, "name": "SrLiF3", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.0, "time": 17762.074056863785}


unique_id: c3b2a70d66a5e67bee1e73dbbacbc1a3
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 37, "kptdensity": 12.0, "e": 1088.0, "name": "AgCaBi", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 0.97999999999999998, "time": 7648.2285351753235}


unique_id: a8953c4de95dd08f03f2fdc37d583071
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "perovskite", "niter": 27, "kptdensity": 12.0, "e": 1088.0, "name": "KCuF3", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 0.98999999999999999, "time": 13717.760744094849}


unique_id: 11bb05e3e0961ff30546657a99aa8348
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "perovskite", "niter": 24, "kptdensity": 12.0, "e": 1088.0, "name": "SrWO3", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 0.98999999999999999, "time": 12382.390215158463}


unique_id: 69deeacdfad955eed1b808f0234dd07a
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "perovskite", "niter": 33, "kptdensity": 12.0, "e": 1088.0, "name": "SrRhO3", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 0.98999999999999999, "time": 15830.57775592804}


unique_id: 27268404a1d24efafb3cc1ac2f0b4751
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "perovskite", "niter": 31, "kptdensity": 12.0, "e": 1088.0, "name": "SrMoO3", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 0.98999999999999999, "time": 16461.845587968826}


unique_id: 7eab550a152aaf2fe5ecf726f94dad2f
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 30, "kptdensity": 12.0, "e": 1088.0, "name": "AgAlSn", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.01, "time": 8335.555979013443}


unique_id: 673a8c375f8de56fdfd8d510236b6125
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "perovskite", "niter": 25, "kptdensity": 12.0, "e": 1088.0, "name": "SrIrO3", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 0.98999999999999999, "time": 12843.660862922668}


unique_id: e39cfb0a28db5cee20d146315c26e943
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 22, "kptdensity": 12.0, "e": 1088.0, "name": "AgYSi", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 0.97999999999999998, "time": 5985.0930099487305}


unique_id: f9c3bf6852af834e3328749adf7891e0
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "perovskite", "niter": 33, "kptdensity": 12.0, "e": 1088.0, "name": "SrFeO3", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 0.98999999999999999, "time": 19747.277646064758}


unique_id: 68e1a0470b7a63453abb3f9b62a0dff2
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 35, "kptdensity": 12.0, "e": 1088.0, "name": "AgCaBi", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 0.98999999999999999, "time": 7448.7089738845825}


unique_id: 1567d63d1a22df66a54e4940cd27c737
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "perovskite", "niter": 30, "kptdensity": 12.0, "e": 1088.0, "name": "SrAgF3", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 0.98999999999999999, "time": 17154.199096918106}


unique_id: 16dd0900c3e2871f84d237c7f107a881
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "perovskite", "niter": 27, "kptdensity": 12.0, "e": 1088.0, "name": "NaNbO3", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.01, "time": 15664.215383052826}


unique_id: b2f2d593b031a03a601c748f9875fe8a
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "perovskite", "niter": 24, "kptdensity": 12.0, "e": 1088.0, "name": "SrSiO3", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 0.97999999999999998, "time": 9770.8914790153503}


unique_id: f4854569d6d7cb7747f78cc94eedadf4
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "perovskite", "niter": 27, "kptdensity": 12.0, "e": 1088.0, "name": "SrRuO3", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 0.98999999999999999, "time": 19082.21627497673}


unique_id: db029cadb4836b6312032fa33ab8c119
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "perovskite", "niter": 35, "kptdensity": 12.0, "e": 1088.0, "name": "SrNbO3", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 0.98999999999999999, "time": 20000.812144994736}


unique_id: 1adedd653d10e3207f37ff6315e4609a
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 21, "kptdensity": 12.0, "e": 1088.0, "name": "AgYSi", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 0.98999999999999999, "time": 5731.0931260585785}


unique_id: 74c6a84acf565a3776205a226953856f
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "perovskite", "niter": 25, "kptdensity": 12.0, "e": 1088.0, "name": "BiAlO3", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 0.97999999999999998, "time": 12331.250635147095}


unique_id: 40bebd38f7210fdddb21052b9e35fc27
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 31, "kptdensity": 12.0, "e": 1088.0, "name": "AgAlSn", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.02, "time": 8069.8194961547852}


unique_id: 644f9a7ae957f648d43cc50ca4cb63d4
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 16, "kptdensity": 12.0, "e": 1088.0, "name": "AlBeB", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 0.97999999999999998, "time": 1553.4246129989624}


unique_id: f01fd194e828246c94c95b8362b30101
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 34, "kptdensity": 12.0, "e": 1088.0, "name": "AgCaBi", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.0, "time": 7422.7068288326263}


unique_id: b34319c95b9533ac918ee25a83d82540
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "perovskite", "niter": 23, "kptdensity": 12.0, "e": 1088.0, "name": "SrWO3", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.0, "time": 12519.433745861053}


unique_id: 5dcbe28bd71852d82873df1bf05d1263
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 16, "kptdensity": 12.0, "e": 1088.0, "name": "AlBeB", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 0.98999999999999999, "time": 1478.9251890182495}


unique_id: e7df8c284db55ef20d60af75c9011718
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "perovskite", "niter": 28, "kptdensity": 12.0, "e": 1088.0, "name": "BiInO3", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 0.97999999999999998, "time": 16975.56440782547}


unique_id: c464093efefd9b85b579474b8d2afa64
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "perovskite", "niter": 34, "kptdensity": 12.0, "e": 1088.0, "name": "KCuF3", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.0, "time": 16584.337328910828}


unique_id: 94cfcde541bd53f03716920ceb2c76e4
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 15, "kptdensity": 12.0, "e": 1088.0, "name": "AlBeB", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.0, "time": 1414.3509361743927}


unique_id: 888e6548ffdd2afc30ac89c03474aa98
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "perovskite", "niter": 29, "kptdensity": 12.0, "e": 1088.0, "name": "SrRhO3", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.0, "time": 13868.80034995079}


unique_id: 63c36adc27a5037cf56614bd30492ef9
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 21, "kptdensity": 12.0, "e": 1088.0, "name": "AgYSi", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.0, "time": 6030.6963391304016}


unique_id: 91e05884d8995fe702dec77901189876
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "perovskite", "niter": 27, "kptdensity": 12.0, "e": 1088.0, "name": "SrIrO3", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.0, "time": 13042.733259916306}


unique_id: 92a3d977489819cc062f13300ee6824b
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 15, "kptdensity": 12.0, "e": 1088.0, "name": "AlBeB", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.01, "time": 1519.0327908992767}


unique_id: a28f7509cf19a4b792aea73705a0adb8
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "perovskite", "niter": 44, "kptdensity": 12.0, "e": 1088.0, "name": "SrLiF3", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.01, "time": 19742.542387962341}


unique_id: 368f47808cd809ed63bb1f2d4d317416
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 15, "kptdensity": 12.0, "e": 1088.0, "name": "AlBeB", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.02, "time": 1431.6785459518433}


unique_id: 29c06f4e431b8e16a53f4d6032e79099
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "perovskite", "niter": 28, "kptdensity": 12.0, "e": 1088.0, "name": "SrSiO3", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 0.98999999999999999, "time": 11235.279855012894}


unique_id: 32e7f1c07d5c6e1588d960cffc8569ed
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 17, "kptdensity": 12.0, "e": 1088.0, "name": "AlLiGe", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 0.97999999999999998, "time": 1313.1511158943176}


unique_id: 8902cd924b99314408307da24f7fdf61
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "perovskite", "niter": 38, "kptdensity": 12.0, "e": 1088.0, "name": "SrMoO3", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.0, "time": 19026.242503881454}


unique_id: 6d977d5c42579812a11be87d4d5a1ac8
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 18, "kptdensity": 12.0, "e": 1088.0, "name": "AlLiGe", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 0.98999999999999999, "time": 1352.2394881248474}


unique_id: cf29adf94eae8ddeafe46f7adf6d98e7
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 24, "kptdensity": 12.0, "e": 1088.0, "name": "AgYSi", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.01, "time": 6757.8086497783661}


unique_id: 1be40d04239d7d0cfcab9b1723daeaf2
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 45, "kptdensity": 12.0, "e": 1088.0, "name": "AgCaBi", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.01, "time": 10485.68293595314}


unique_id: bad247f885b0b6cd256bc4f4e61c9129
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "perovskite", "niter": 30, "kptdensity": 12.0, "e": 1088.0, "name": "SrAgF3", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.0, "time": 16999.307957172394}


unique_id: 8c6db76a3ccf34513e200b941ec20766
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 19, "kptdensity": 12.0, "e": 1088.0, "name": "AlLiGe", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.0, "time": 1724.5604839324951}


unique_id: ad08629d594d909a830585de23d7a2a0
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "perovskite", "niter": 27, "kptdensity": 12.0, "e": 1088.0, "name": "NaNbO3", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.02, "time": 16657.282289981842}


unique_id: 4a45fd806aa4251ddbf34637e4bc17db
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "perovskite", "niter": 26, "kptdensity": 12.0, "e": 1088.0, "name": "BiAlO3", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 0.98999999999999999, "time": 14513.186586141586}


unique_id: bcd44f10e51742146bf6ac2a7e2261a8
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 17, "kptdensity": 12.0, "e": 1088.0, "name": "AlLiGe", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.01, "time": 1566.4090909957886}


unique_id: b7b8740acdca9ffb7a5b787cf91f22c3
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "perovskite", "niter": 35, "kptdensity": 12.0, "e": 1088.0, "name": "SrFeO3", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.0, "time": 20934.220571994781}


unique_id: 691e3f5d992c16018890f30714d08d28
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 16, "kptdensity": 12.0, "e": 1088.0, "name": "AlLiGe", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.02, "time": 1566.9367070198059}


unique_id: 9aa3d6fc6229153f279392cd6ff14718
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "perovskite", "niter": 31, "kptdensity": 12.0, "e": 1088.0, "name": "SrNbO3", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.0, "time": 17624.063752889633}


unique_id: 6ccebc58be8a196cbb9eb371975b43f5
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 16, "kptdensity": 12.0, "e": 1088.0, "name": "AlLiSi", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 0.97999999999999998, "time": 1292.2097229957581}


unique_id: 1dc6b61ec8a5781304a4372bf986957e
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "perovskite", "niter": 26, "kptdensity": 12.0, "e": 1088.0, "name": "SrWO3", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.01, "time": 14793.61022901535}


unique_id: 19a7fd2f00e792ccbfaff36c18907be6
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "perovskite", "niter": 26, "kptdensity": 12.0, "e": 1088.0, "name": "SrRuO3", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.0, "time": 19410.356025934219}


unique_id: 5c1c408e43860ab2957a9a65c4448664
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "perovskite", "niter": 28, "kptdensity": 12.0, "e": 1088.0, "name": "KCuF3", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.01, "time": 13999.716562986374}


unique_id: e94948980596c835e68a3dea9d20b343
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 25, "kptdensity": 12.0, "e": 1088.0, "name": "AgYSi", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.02, "time": 6789.0114381313324}


unique_id: ab065d40ed01611bd62822259e73223e
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 16, "kptdensity": 12.0, "e": 1088.0, "name": "AlLiSi", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 0.98999999999999999, "time": 1317.8486051559448}


unique_id: 75d4e134fa901d56c082e077de86b75b
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "perovskite", "niter": 25, "kptdensity": 12.0, "e": 1088.0, "name": "SrSiO3", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.0, "time": 9770.285364151001}


unique_id: 30761ccaf2c8ac1cf42490e4be80ba3f
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "perovskite", "niter": 28, "kptdensity": 12.0, "e": 1088.0, "name": "SrRhO3", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.01, "time": 14774.144973039627}


unique_id: c37e7917bfac553c98767875f4cdd878
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "perovskite", "niter": 26, "kptdensity": 12.0, "e": 1088.0, "name": "BiInO3", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 0.98999999999999999, "time": 15813.596566915512}


unique_id: f3b7b2477bd6767c6f687621a82609f6
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "perovskite", "niter": 25, "kptdensity": 12.0, "e": 1088.0, "name": "SrIrO3", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.01, "time": 14177.930082082748}


unique_id: c4fec2d338425f7f06e2103c91ffbc60
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 16, "kptdensity": 12.0, "e": 1088.0, "name": "AlLiSi", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.0, "time": 1268.9763000011444}


unique_id: b6b2d0fb5068d0eb2e0132cdc48f5831
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 38, "kptdensity": 12.0, "e": 1088.0, "name": "AgCaBi", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.02, "time": 8470.4525580406189}


unique_id: c9a03626b0934c9cc55edccb0e357dc8
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 16, "kptdensity": 12.0, "e": 1088.0, "name": "AlLiSi", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.01, "time": 1529.0292830467224}


unique_id: f714449bf793ccee078f1db67068ef74
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 16, "kptdensity": 12.0, "e": 1088.0, "name": "AlLiSi", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.02, "time": 1490.8614919185638}


unique_id: dfd69f426f8737c0f3f2ce828b9e4eca
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 30, "kptdensity": 12.0, "e": 1088.0, "name": "AuLiSb", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 0.97999999999999998, "time": 5936.729907989502}


unique_id: 385c344ef2ecf2b40a6b06b61fadaf9c
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "perovskite", "niter": 44, "kptdensity": 12.0, "e": 1088.0, "name": "SrLiF3", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.02, "time": 19809.606849908829}


unique_id: 2b75a52e301b01672d0c1635b4a92924
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "perovskite", "niter": 30, "kptdensity": 12.0, "e": 1088.0, "name": "SrMoO3", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.01, "time": 16326.643019914627}


unique_id: 71c357d1343a404d8f77de27266ca5af
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 26, "kptdensity": 12.0, "e": 1088.0, "name": "BeScB", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 0.97999999999999998, "time": 3393.4370250701904}


unique_id: 495edff5022158c1547a6e3488ed091a
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 38, "kptdensity": 12.0, "e": 1088.0, "name": "BaZnTi", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 0.97999999999999998, "time": 8241.1112861633301}


unique_id: dba6ea513428c3b9f56f96d0b62fe0f5
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 24, "kptdensity": 12.0, "e": 1088.0, "name": "BeScB", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 0.98999999999999999, "time": 3438.6441950798035}


unique_id: 5445a3f58724528f82ac05591dea664d
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 30, "kptdensity": 12.0, "e": 1088.0, "name": "AuLiSb", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 0.98999999999999999, "time": 6144.6340420246124}


unique_id: e1b3079156aa1037a4bbdbf0302b78af
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "perovskite", "niter": 29, "kptdensity": 12.0, "e": 1088.0, "name": "BiAlO3", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.0, "time": 16397.247413873672}


unique_id: 12e972f50dbef1579198732949f6374e
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "perovskite", "niter": 33, "kptdensity": 12.0, "e": 1088.0, "name": "SrAgF3", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.01, "time": 18461.69176197052}


unique_id: e25f8e3075deef3d4b6d78e966d18d3c
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "perovskite", "niter": 23, "kptdensity": 12.0, "e": 1088.0, "name": "SrWO3", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.02, "time": 12871.680388212204}


unique_id: 21045436c45d61b568e267f1ed0cde58
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "perovskite", "niter": 32, "kptdensity": 12.0, "e": 1088.0, "name": "SrSiO3", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.01, "time": 12362.984666109085}


unique_id: 344c6d9f3427024425cbac70f60471ed
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "perovskite", "niter": 29, "kptdensity": 12.0, "e": 1088.0, "name": "KCuF3", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.02, "time": 14121.232049942017}


unique_id: 9a0a36510497db4ba081bec72c47de94
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "perovskite", "niter": 31, "kptdensity": 12.0, "e": 1088.0, "name": "SrFeO3", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.01, "time": 17735.63573884964}


unique_id: a9d2a1bba4ffa1011627d604d5e4a796
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 23, "kptdensity": 12.0, "e": 1088.0, "name": "BeScB", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.0, "time": 3311.7464740276337}


unique_id: b6d4263fc1c7afc3dc7c6f9e989fc385
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "perovskite", "niter": 26, "kptdensity": 12.0, "e": 1088.0, "name": "SrIrO3", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.02, "time": 14714.268891096115}


unique_id: 7c1c5aa6c44409b32fef9d86c2b88ce6
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "perovskite", "niter": 25, "kptdensity": 12.0, "e": 1088.0, "name": "BiInO3", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.0, "time": 14792.52236700058}


unique_id: 26d851e872eb7f5205f2614e0225ec0f
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "perovskite", "niter": 29, "kptdensity": 12.0, "e": 1088.0, "name": "SrRhO3", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.02, "time": 15963.959909915924}


unique_id: 369f42a287c04ec90a8752ec0320a950
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 34, "kptdensity": 12.0, "e": 1088.0, "name": "BaZnTi", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 0.98999999999999999, "time": 7414.7148649692535}


unique_id: b18844e8bf8839edd5940655c1fc3939
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 28, "kptdensity": 12.0, "e": 1088.0, "name": "AuLiSb", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.0, "time": 5609.0054659843445}


unique_id: 651203739e719e96a0f036d75b0ab45d
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "perovskite", "niter": 26, "kptdensity": 12.0, "e": 1088.0, "name": "SrRuO3", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.01, "time": 18875.532870054245}


unique_id: cb264844aa21bffed36db79d1bf58bdf
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 23, "kptdensity": 12.0, "e": 1088.0, "name": "BeScB", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.01, "time": 3790.8695631027222}


unique_id: 38eded8b69fef43a3e932e7d8f0131ec
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "perovskite", "niter": 39, "kptdensity": 12.0, "e": 1088.0, "name": "SrNbO3", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.01, "time": 22554.784109830856}


unique_id: b1bb60aba81b03e8076ab5c6878a91cc
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 23, "kptdensity": 12.0, "e": 1088.0, "name": "BeScB", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.02, "time": 3770.0566618442535}


unique_id: 494cb9cfc72e240f28c0e755a2cdc978
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 36, "kptdensity": 12.0, "e": 1088.0, "name": "AuLiSb", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.01, "time": 7208.3152000904083}


unique_id: 6ef65ccf1e10873b2adaa15fdb1169ea
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "perovskite", "niter": 26, "kptdensity": 12.0, "e": 1088.0, "name": "SrSiO3", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.02, "time": 11785.516364097595}


unique_id: c0831b4c0438a8b8b5fcc5ca8bbd316f
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "perovskite", "niter": 31, "kptdensity": 12.0, "e": 1088.0, "name": "SrMoO3", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.02, "time": 17669.394818067551}


unique_id: 94419987194e0a472e9f4f876e166fe3
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 39, "kptdensity": 12.0, "e": 1088.0, "name": "BaZnTi", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.0, "time": 8211.984041929245}


unique_id: ded644f91c830d1c9234a5c5bb47b24a
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "perovskite", "niter": 26, "kptdensity": 12.0, "e": 1088.0, "name": "BiAlO3", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.01, "time": 14575.863528013229}


unique_id: aa1005fc5f4ded62fb557feddb1f5b27
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 29, "kptdensity": 12.0, "e": 1088.0, "name": "AuLiSb", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.02, "time": 5733.4405329227448}


unique_id: 6ea812266c50f8a791a40ab7ef76f8ab
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "perovskite", "niter": 33, "kptdensity": 12.0, "e": 1088.0, "name": "SrAgF3", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.02, "time": 18287.781094789505}


unique_id: e2eff1da68a192fe83db759dc6547e14
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "perovskite", "niter": 27, "kptdensity": 12.0, "e": 1088.0, "name": "BiInO3", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.01, "time": 15441.079460144043}


unique_id: 25434438733e77a8595a1f14f0398b9e
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 39, "kptdensity": 12.0, "e": 1088.0, "name": "BaZnTi", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.01, "time": 8415.2534458637238}


unique_id: 30ddc1fe94ee951f2dbc0a90f5b2de4c
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "perovskite", "niter": 35, "kptdensity": 12.0, "e": 1088.0, "name": "SrFeO3", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.02, "time": 20536.271770954132}


unique_id: a055940ecd154a575a5037dea709a72b
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "perovskite", "niter": 33, "kptdensity": 12.0, "e": 1088.0, "name": "SrNbO3", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.02, "time": 19615.442499876022}


unique_id: 26a8c0521a72fad2a84af7bfb706b1e2
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "perovskite", "niter": 23, "kptdensity": 12.0, "e": 1088.0, "name": "BiAlO3", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.02, "time": 12456.678223133087}


unique_id: f6fcf1d0ccb2b23d0200e9ab379917c3
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "perovskite", "niter": 28, "kptdensity": 12.0, "e": 1088.0, "name": "SrRuO3", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.02, "time": 22751.87925696373}


unique_id: 4e465435c02a527615b264512c5252fd
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 38, "kptdensity": 12.0, "e": 1088.0, "name": "BaZnTi", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.02, "time": 8393.0689508914948}


unique_id: c7d4bac438117f62672b9d15d82849ba
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "perovskite", "niter": 30, "kptdensity": 12.0, "e": 1088.0, "name": "BiInO3", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.02, "time": 17346.382055997849}


unique_id: 362150d323e6ca9bc1aa66ff24122741
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "perovskite", "niter": 33, "kptdensity": 12.0, "e": 1088.0, "name": "KMgF3", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 0.97999999999999998, "time": 3780.4415709972382}


unique_id: 3eafdfd9ae089d5c1c2a37523d192aa4
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "perovskite", "niter": 27, "kptdensity": 12.0, "e": 1088.0, "name": "KMgF3", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 0.98999999999999999, "time": 3482.20356798172}


unique_id: 16d18002669dc315c52a31e95c0cef66
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "perovskite", "niter": 27, "kptdensity": 12.0, "e": 1088.0, "name": "KMgF3", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.0, "time": 3434.318727016449}


unique_id: 4afb959eb594e502229f62105048d7a6
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "perovskite", "niter": 29, "kptdensity": 12.0, "e": 1088.0, "name": "CsMgF3", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 0.97999999999999998, "time": 4043.6819319725037}


unique_id: 6b8e7a7def42b93e9ca9da0cde8f938e
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "perovskite", "niter": 24, "kptdensity": 12.0, "e": 1088.0, "name": "KMgF3", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.01, "time": 3038.8595399856567}


unique_id: 2989d302ac09a9357412a1d4b69c61bf
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "perovskite", "niter": 26, "kptdensity": 12.0, "e": 1088.0, "name": "MgTiO3", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 0.97999999999999998, "time": 5097.4708020687103}


unique_id: c8e096d0d68244f3a6420b9f4d0f3353
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "perovskite", "niter": 35, "kptdensity": 12.0, "e": 1088.0, "name": "CsMgF3", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 0.98999999999999999, "time": 4634.2178239822388}


unique_id: 3e3069b888377d0d2ee2065012ac5fab
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "perovskite", "niter": 28, "kptdensity": 12.0, "e": 1088.0, "name": "KMgF3", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.02, "time": 3479.4097809791565}


unique_id: 3f6c00f481afda9963501533683f86bd
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "perovskite", "niter": 28, "kptdensity": 12.0, "e": 1088.0, "name": "CaTiO3", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 0.97999999999999998, "time": 2294.3706338405609}


unique_id: 7573b0cf2d97260775cd5684e7416efc
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "perovskite", "niter": 27, "kptdensity": 12.0, "e": 1088.0, "name": "BaTiO3", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 0.97999999999999998, "time": 1839.6435029506683}


unique_id: de3bf2f2966fe907c1b17121d3c59034
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "perovskite", "niter": 36, "kptdensity": 12.0, "e": 1088.0, "name": "BiScO3", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 0.97999999999999998, "time": 2619.1341969966888}


unique_id: a652a8b207233c844e52551994b5a0d4
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "perovskite", "niter": 27, "kptdensity": 12.0, "e": 1088.0, "name": "MgTiO3", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 0.98999999999999999, "time": 5255.0025930404663}


unique_id: 5aae46f83d6f6a47fd9d410942bafc5f
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "perovskite", "niter": 25, "kptdensity": 12.0, "e": 1088.0, "name": "BaTiO3", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 0.98999999999999999, "time": 1725.6188690662384}


unique_id: 547b86ecc846b702fdfeeaedf54710c2
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "perovskite", "niter": 25, "kptdensity": 12.0, "e": 1088.0, "name": "CaTiO3", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 0.98999999999999999, "time": 2077.1390619277954}


unique_id: f9ce671dd0298a095f7cbe9bf2167f04
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "perovskite", "niter": 29, "kptdensity": 12.0, "e": 1088.0, "name": "BiScO3", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 0.98999999999999999, "time": 2088.1241610050201}


unique_id: 8535bee8a4cd877e65a6a62be586a74d
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "perovskite", "niter": 34, "kptdensity": 12.0, "e": 1088.0, "name": "CsMgF3", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.0, "time": 4646.4510691165924}


unique_id: 651bf90813539472a06f6798a236d415
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "perovskite", "niter": 29, "kptdensity": 12.0, "e": 1088.0, "name": "SrTiO3", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 0.97999999999999998, "time": 5296.8356750011444}


unique_id: dec45ed32830f84783a6b204db4298b5
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "perovskite", "niter": 27, "kptdensity": 12.0, "e": 1088.0, "name": "BaTiO3", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.0, "time": 1809.7133140563965}


unique_id: 3e2124cc003f5e606be330637cdaab8b
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "perovskite", "niter": 24, "kptdensity": 12.0, "e": 1088.0, "name": "CaTiO3", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.0, "time": 1995.4403359889984}


unique_id: 2283766b65f358c347bc858aa932bdcf
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "perovskite", "niter": 28, "kptdensity": 12.0, "e": 1088.0, "name": "BiYO3", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 0.97999999999999998, "time": 5366.9715728759766}


unique_id: 91ff5b73819d6b5f82ebe99a813a3619
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "perovskite", "niter": 31, "kptdensity": 12.0, "e": 1088.0, "name": "BiScO3", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.0, "time": 2220.4709100723267}


unique_id: dea0891710d3b92f9fbd334c7bda0f5a
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "perovskite", "niter": 28, "kptdensity": 12.0, "e": 1088.0, "name": "BaTiO3", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.01, "time": 1860.3893959522247}


unique_id: bc7638f7b92097708ebbfaf4f27142ca
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "perovskite", "niter": 25, "kptdensity": 12.0, "e": 1088.0, "name": "CaTiO3", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.01, "time": 2077.0885760784149}


unique_id: 5c584bf812ce5a8d6b2bd9fd7eee48db
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "perovskite", "niter": 29, "kptdensity": 12.0, "e": 1088.0, "name": "SrVO3", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 0.97999999999999998, "time": 5077.032525062561}


unique_id: 1253ff4cbe4cfc61c2ec14e23ba9d3a7
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "perovskite", "niter": 25, "kptdensity": 12.0, "e": 1088.0, "name": "MgTiO3", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.0, "time": 4853.146054983139}


unique_id: 672c6ff10b4366a91c14f0630abdcd10
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "perovskite", "niter": 32, "kptdensity": 12.0, "e": 1088.0, "name": "BiScO3", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.01, "time": 2285.1700000762939}


unique_id: 7c7bcdc3df621d4a49406532346ddfdb
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "perovskite", "niter": 27, "kptdensity": 12.0, "e": 1088.0, "name": "BaTiO3", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.02, "time": 1785.0127010345459}


unique_id: e793d1636587190ee23e5163e8d40173
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "perovskite", "niter": 27, "kptdensity": 12.0, "e": 1088.0, "name": "SrTiO3", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 0.98999999999999999, "time": 4943.8690931797028}


unique_id: 1ec279d80cc6288f33019262eb6c0525
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "perovskite", "niter": 27, "kptdensity": 12.0, "e": 1088.0, "name": "CaTiO3", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.02, "time": 2242.957111120224}


unique_id: e08df64590eadce49199b6c5f752b776
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "perovskite", "niter": 36, "kptdensity": 12.0, "e": 1088.0, "name": "CsMgF3", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.01, "time": 6520.5059778690338}


unique_id: ed449fb6e061013d01f737f75eefc3e0
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "perovskite", "niter": 40, "kptdensity": 12.0, "e": 1088.0, "name": "SrCrO3", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 0.97999999999999998, "time": 5354.2932209968567}


unique_id: cbae533f51e6cce3110779216c8676a4
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "perovskite", "niter": 30, "kptdensity": 12.0, "e": 1088.0, "name": "BiScO3", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.02, "time": 2145.1182661056519}


unique_id: e3028e0639bfb361cfd62f19408032af
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "perovskite", "niter": 27, "kptdensity": 12.0, "e": 1088.0, "name": "SrMnO3", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 0.97999999999999998, "time": 2101.7652308940887}


unique_id: c7783bd84ae9d04c0467758ec7483d68
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "perovskite", "niter": 27, "kptdensity": 12.0, "e": 1088.0, "name": "SrCoO3", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 0.97999999999999998, "time": 1715.9672520160675}


unique_id: 91a1f50d9bfc77f9af57455e251f37e4
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "perovskite", "niter": 26, "kptdensity": 12.0, "e": 1088.0, "name": "SrVO3", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 0.98999999999999999, "time": 4626.8448569774628}


unique_id: 155d9b1521b1a09030fb4ccf2485c9b4
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "perovskite", "niter": 31, "kptdensity": 12.0, "e": 1088.0, "name": "BiYO3", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 0.98999999999999999, "time": 7669.3021900653839}


unique_id: 3ac80fb88c8c5cba59d70222ea9d0aac
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "perovskite", "niter": 26, "kptdensity": 12.0, "e": 1088.0, "name": "SrNiO3", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 0.97999999999999998, "time": 2082.2641201019287}


unique_id: a573c443dec4ca7b9427782a73bf9196
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "perovskite", "niter": 27, "kptdensity": 12.0, "e": 1088.0, "name": "SrMnO3", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 0.98999999999999999, "time": 2376.7951939105988}


unique_id: 1ba685f8a984d3b3a400f44cd8017216
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "perovskite", "niter": 28, "kptdensity": 12.0, "e": 1088.0, "name": "MgTiO3", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.01, "time": 5517.4558088779449}


unique_id: f73ae01000b13b2725c344cce513313c
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "perovskite", "niter": 28, "kptdensity": 12.0, "e": 1088.0, "name": "SrCoO3", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 0.98999999999999999, "time": 1993.0141341686249}


unique_id: da97b5c79b206fcd3848be8ef05355ba
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "perovskite", "niter": 24, "kptdensity": 12.0, "e": 1088.0, "name": "SrTiO3", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.0, "time": 4458.0687398910522}


unique_id: db044372feb2ef3591d9bf1408a107dc
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "perovskite", "niter": 31, "kptdensity": 12.0, "e": 1088.0, "name": "SrNiO3", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 0.98999999999999999, "time": 2479.1404361724854}


unique_id: 47863bf15c6faf3329730a2cf5105a0e
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "perovskite", "niter": 26, "kptdensity": 12.0, "e": 1088.0, "name": "SrMnO3", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.0, "time": 2285.6670889854431}


unique_id: aa9db519cf0a50ca4faf9e5887bed858
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "perovskite", "niter": 29, "kptdensity": 12.0, "e": 1088.0, "name": "SrCoO3", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.0, "time": 2066.2030780315399}


unique_id: c4dcaa81d00c7812d5a7a879b197629c
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "perovskite", "niter": 33, "kptdensity": 12.0, "e": 1088.0, "name": "CsMgF3", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.02, "time": 5872.2150840759277}


unique_id: 70ec8e5ae5afae9a963baf119a471cbc
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "perovskite", "niter": 26, "kptdensity": 12.0, "e": 1088.0, "name": "SrVO3", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.0, "time": 4667.97989320755}


unique_id: b4497f1a31b0c6d8cba28f0011e8a256
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "perovskite", "niter": 42, "kptdensity": 12.0, "e": 1088.0, "name": "SrCrO3", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 0.98999999999999999, "time": 6366.3546369075775}


unique_id: fce154ba7e87b01f9c7c0da38b70aa2b
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "perovskite", "niter": 28, "kptdensity": 12.0, "e": 1088.0, "name": "SrNiO3", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.0, "time": 2244.0484869480133}


unique_id: 1235850ee97e1e40b292123613c7d858
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "perovskite", "niter": 28, "kptdensity": 12.0, "e": 1088.0, "name": "SrCoO3", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.01, "time": 2010.2351489067078}


unique_id: 5f81642111c901baaf16e9a400ea659b
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "perovskite", "niter": 30, "kptdensity": 12.0, "e": 1088.0, "name": "SrMnO3", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.01, "time": 2645.3428390026093}


unique_id: ff34869ddab4c305cff6cf614f324a0b
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "perovskite", "niter": 26, "kptdensity": 12.0, "e": 1088.0, "name": "SrTiO3", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.01, "time": 4766.2315418720245}


unique_id: 26d220a88b5b8cd4c5f1d48562478c58
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "perovskite", "niter": 28, "kptdensity": 12.0, "e": 1088.0, "name": "MgTiO3", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.02, "time": 5520.8678829669952}


unique_id: db3ac792dea2121098757a428734e213
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "perovskite", "niter": 29, "kptdensity": 12.0, "e": 1088.0, "name": "BiYO3", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.0, "time": 7129.0311231613159}


unique_id: f6c67f1a3beba6a897a318ef99ddd988
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "perovskite", "niter": 30, "kptdensity": 12.0, "e": 1088.0, "name": "SrCoO3", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.02, "time": 2153.7248468399048}


unique_id: 62d6f74d0891ce43ee50d16be5411619
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "perovskite", "niter": 30, "kptdensity": 12.0, "e": 1088.0, "name": "SrNiO3", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.01, "time": 2413.0605020523071}


unique_id: 420dce3841186e9be07486239692a4ea
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "perovskite", "niter": 31, "kptdensity": 12.0, "e": 1088.0, "name": "KNiF3", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 0.97999999999999998, "time": 4324.0413420200348}


unique_id: 49bcef4e100d40ec665f66644d1f8f8c
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "perovskite", "niter": 29, "kptdensity": 12.0, "e": 1088.0, "name": "SrMnO3", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.02, "time": 2557.5990309715271}


unique_id: 13cf99d09a4984baa5d868c4740dfafd
username: dulak
data: {}
key_value_pairs:
  {"category": "perovskite", "kptdensity": 12.0, "e": 1088.0, "name": "SrTcO3", "width": 0.01, "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "linspacestr": "0.98x1.02x5", "constant_basis": true, "potentials": "gpaw", "x": 0.97999999999999998}


unique_id: 881af01ee41527ef6a2ed5bc4a4353ed
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "perovskite", "niter": 25, "kptdensity": 12.0, "e": 1088.0, "name": "SrZrO3", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 0.97999999999999998, "time": 1639.3828527927399}


unique_id: 3f262e625f3c6def057f60d198725f40
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 32, "kptdensity": 12.0, "e": 1088.0, "name": "BiMgCu", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 0.97999999999999998, "time": 1081.5456418991089}


unique_id: 9226cb03931579d999d0c6614c3d7c24
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "perovskite", "niter": 27, "kptdensity": 12.0, "e": 1088.0, "name": "SrNiO3", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.02, "time": 2164.2099170684814}


unique_id: c6196adf2d497e479aae45cd099e2163
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "perovskite", "niter": 31, "kptdensity": 12.0, "e": 1088.0, "name": "SrVO3", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.01, "time": 5611.4543399810791}


unique_id: a3d41a6f3aa5280eacf7423e38a37c9e
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "perovskite", "niter": 39, "kptdensity": 12.0, "e": 1088.0, "name": "SrCrO3", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.0, "time": 5977.6007869243622}


unique_id: 928558bbd0165890554ccf12ddf28662
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "perovskite", "niter": 23, "kptdensity": 12.0, "e": 1088.0, "name": "SrTiO3", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.02, "time": 4563.4199938774109}


unique_id: b8ef7ebaef847bef9c1aa55d652d99dc
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 37, "kptdensity": 12.0, "e": 1088.0, "name": "BiMgCu", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 0.98999999999999999, "time": 1353.901046037674}


unique_id: d696db91e319579dacfbdd98834b4e72
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "perovskite", "niter": 31, "kptdensity": 12.0, "e": 1088.0, "name": "SrZrO3", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 0.98999999999999999, "time": 2030.9420340061188}


unique_id: 5511c3d2b02edebb9a16df5449c91400
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "perovskite", "niter": 36, "kptdensity": 12.0, "e": 1088.0, "name": "KZnF3", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 0.97999999999999998, "time": 5021.558226108551}


unique_id: fe3fa946cf6276d6f1e22508767b871a
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "perovskite", "niter": 31, "kptdensity": 12.0, "e": 1088.0, "name": "KPdF3", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 0.97999999999999998, "time": 2047.1486709117889}


unique_id: c757658e56fca3489fe295e8f42a2a82
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 30, "kptdensity": 12.0, "e": 1088.0, "name": "BiMgCu", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.0, "time": 1113.9083070755005}


unique_id: 40f36aa6ece4ef3f6823e01a0ac9a929
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "perovskite", "niter": 31, "kptdensity": 12.0, "e": 1088.0, "name": "KNiF3", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 0.98999999999999999, "time": 4278.7495789527893}


unique_id: f88f9f40cbdac0ddd8d15e0c27f22053
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "perovskite", "niter": 25, "kptdensity": 12.0, "e": 1088.0, "name": "SrZrO3", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.0, "time": 1650.2153060436249}


unique_id: 34018a003db418ed2ec8184717ef6f40
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 33, "kptdensity": 12.0, "e": 1088.0, "name": "BiMgCu", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.01, "time": 1220.7125170230865}


unique_id: 5df9a15bd2383687ebfc9a02b903b89a
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "perovskite", "niter": 34, "kptdensity": 12.0, "e": 1088.0, "name": "KPdF3", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 0.98999999999999999, "time": 2254.0288031101227}


unique_id: a6408c5003091e66a7ad248f1e4c0518
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "perovskite", "niter": 29, "kptdensity": 12.0, "e": 1088.0, "name": "BiYO3", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.01, "time": 7106.3325769901276}


unique_id: a1ae4daea37a06bcf83a83fd80338a5c
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 32, "kptdensity": 12.0, "e": 1088.0, "name": "BiMgCu", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.02, "time": 1181.4985511302948}


unique_id: ce31cd97a8c5ca78227354d9d1791452
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "perovskite", "niter": 25, "kptdensity": 12.0, "e": 1088.0, "name": "SrZrO3", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.01, "time": 1635.0846390724182}


unique_id: d1294d7a27b5bd2aa8336505a2af6b9a
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "perovskite", "niter": 27, "kptdensity": 12.0, "e": 1088.0, "name": "KCdF3", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 0.97999999999999998, "time": 3756.5160989761353}


unique_id: 71fbe59869b124ed280167904d4d437f
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "perovskite", "niter": 31, "kptdensity": 12.0, "e": 1088.0, "name": "SrVO3", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.02, "time": 5502.2371618747711}


unique_id: 552f1c3633b466e0a642021c8d134354
username: dulak
data: {}
key_value_pairs:
  {"category": "perovskite", "kptdensity": 12.0, "e": 1088.0, "name": "LaAlO3", "width": 0.01, "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "linspacestr": "0.98x1.02x5", "constant_basis": true, "potentials": "gpaw", "x": 0.97999999999999998}


unique_id: a362375a8499f7aa72d08069a8134530
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 31, "kptdensity": 12.0, "e": 1088.0, "name": "BiScNi", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 0.97999999999999998, "time": 1410.7042729854584}


unique_id: 6885df4e481c892d4aa90819ee3ad0eb
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "perovskite", "niter": 24, "kptdensity": 12.0, "e": 1088.0, "name": "SrZrO3", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.02, "time": 1568.831207036972}


unique_id: ef4ed73d023690d7df5e64ff53661404
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "perovskite", "niter": 40, "kptdensity": 12.0, "e": 1088.0, "name": "SrCrO3", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.01, "time": 6118.5852191448212}


unique_id: b9a6747e0ae47bb382ed15ebdd5cd471
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "perovskite", "niter": 27, "kptdensity": 12.0, "e": 1088.0, "name": "KNiF3", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.0, "time": 4080.7088639736176}


unique_id: 26e6496aaaf68cf92d4c11d9e0330e67
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "perovskite", "niter": 38, "kptdensity": 12.0, "e": 1088.0, "name": "KZnF3", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 0.98999999999999999, "time": 5288.4470810890198}


unique_id: 5fa1f4b1b4dc7911ed813463d711c837
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "perovskite", "niter": 35, "kptdensity": 12.0, "e": 1088.0, "name": "KPdF3", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.0, "time": 3224.8063139915466}


unique_id: fee356e70b6ce7014e3d33f49b683b0d
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 41, "kptdensity": 12.0, "e": 1088.0, "name": "BiScNi", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 0.98999999999999999, "time": 1869.4442398548126}


unique_id: a966d366474ba3495025659422bef555
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "perovskite", "niter": 24, "kptdensity": 12.0, "e": 1088.0, "name": "SrHfO3", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 0.97999999999999998, "time": 1557.1666791439056}


unique_id: 3f5a2b46c29b8bd8dc35b4a9fe4863c6
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "perovskite", "niter": 23, "kptdensity": 12.0, "e": 1088.0, "name": "KCdF3", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 0.98999999999999999, "time": 3178.2516069412231}


unique_id: 98cf735f0e81f4f5e4e4203fd703dbbd
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 31, "kptdensity": 12.0, "e": 1088.0, "name": "BiYNi", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 0.97999999999999998, "time": 3367.5292408466339}


unique_id: 3a88d1aaea8ec2eb926001ad55bc78a1
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 30, "kptdensity": 12.0, "e": 1088.0, "name": "BiScNi", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.0, "time": 1367.7671520709991}


unique_id: 145a1a8acdb2fdd2689f4c8e0f2ae9f7
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "perovskite", "niter": 24, "kptdensity": 12.0, "e": 1088.0, "name": "SrHfO3", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 0.98999999999999999, "time": 1551.1292428970337}


unique_id: 31d1e13ef0eb483c942127f569b4048d
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "perovskite", "niter": 28, "kptdensity": 12.0, "e": 1088.0, "name": "KPdF3", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.01, "time": 2549.3369200229645}


unique_id: 4ac5c90854ba64809f9e7bb1140bb91c
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 30, "kptdensity": 12.0, "e": 1088.0, "name": "BiScNi", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.01, "time": 1370.222118139267}


unique_id: 13b3dea9bb3e8a883340233775defabb
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "perovskite", "niter": 31, "kptdensity": 12.0, "e": 1088.0, "name": "KNiF3", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.01, "time": 4583.5983650684357}


unique_id: a4851cec9d649b667bf816b5a95ab17d
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "perovskite", "niter": 27, "kptdensity": 12.0, "e": 1088.0, "name": "SrHfO3", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.0, "time": 1748.8474950790405}


unique_id: 1f9cb4ddcb8811e917513d2982cce89e
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "perovskite", "niter": 27, "kptdensity": 12.0, "e": 1088.0, "name": "KCdF3", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.0, "time": 3685.7507679462433}


unique_id: f177124870a2d92b5cf82128a9c5eb0f
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "perovskite", "niter": 39, "kptdensity": 12.0, "e": 1088.0, "name": "KZnF3", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.0, "time": 5447.316398859024}


unique_id: 45841ce6ac1407e230b296a8d898130b
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 33, "kptdensity": 12.0, "e": 1088.0, "name": "BiScNi", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.02, "time": 1591.4083688259125}


unique_id: 932d1ebeac33306954540ef8108523e9
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "perovskite", "niter": 38, "kptdensity": 12.0, "e": 1088.0, "name": "SrCrO3", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.02, "time": 5775.2355220317841}


unique_id: 18d4211dd198d8df78f88dc4277e3c80
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "perovskite", "niter": 32, "kptdensity": 12.0, "e": 1088.0, "name": "BiYO3", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.02, "time": 7906.3074269294739}


unique_id: 6c27bca5bea3fc8c667c5a5b8b297bc4
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 32, "kptdensity": 12.0, "e": 1088.0, "name": "BiYNi", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 0.98999999999999999, "time": 3479.0998220443726}


unique_id: 950386d26d41a36567e452dcca11c80b
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "perovskite", "niter": 31, "kptdensity": 12.0, "e": 1088.0, "name": "KPdF3", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.02, "time": 2878.9253990650177}


unique_id: 98e148906ce8413dc3d0c72d53338da4
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "perovskite", "niter": 23, "kptdensity": 12.0, "e": 1088.0, "name": "SrHfO3", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.01, "time": 1486.5737638473511}


unique_id: fa1a01afecc8032b601d977e3d25a5c4
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 33, "kptdensity": 12.0, "e": 1088.0, "name": "BiYPd", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 0.97999999999999998, "time": 1842.941654920578}


unique_id: 98e2b7bc0e1e38e0808100050d709265
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "perovskite", "niter": 23, "kptdensity": 12.0, "e": 1088.0, "name": "SrHfO3", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.02, "time": 1490.752671957016}


unique_id: 5edb268a1284e800bd81e4c970b91151
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "perovskite", "niter": 28, "kptdensity": 12.0, "e": 1088.0, "name": "SrOsO3", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 0.97999999999999998, "time": 1707.4448230266571}


unique_id: 38a3e097d8c61c70dce6158b79e69650
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "perovskite", "niter": 27, "kptdensity": 12.0, "e": 1088.0, "name": "KNiF3", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.02, "time": 3981.5938770771027}


unique_id: e3cb44b7553d7b01747e1f56794754b4
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "perovskite", "niter": 25, "kptdensity": 12.0, "e": 1088.0, "name": "KCdF3", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.01, "time": 3463.0647668838501}


unique_id: 4daebd974851d24576ade726b237a754
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 30, "kptdensity": 12.0, "e": 1088.0, "name": "BiYPd", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 0.98999999999999999, "time": 1943.443165063858}


unique_id: 452fbb17e54cfaebab822e169cc82b48
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "perovskite", "niter": 27, "kptdensity": 12.0, "e": 1088.0, "name": "SrTaO3", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 0.97999999999999998, "time": 3798.8350400924683}


unique_id: faa1a3cd251dd16a56a856b5d12732d5
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 35, "kptdensity": 12.0, "e": 1088.0, "name": "BiYNi", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.0, "time": 3910.628387928009}


unique_id: deecc4315c58a3e3a04dfd1d7573a999
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "perovskite", "niter": 28, "kptdensity": 12.0, "e": 1088.0, "name": "SrPtO3", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 0.97999999999999998, "time": 1732.7558748722076}


unique_id: 6a9b1a2a0908ecc2764c88bbfa560252
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "perovskite", "niter": 27, "kptdensity": 12.0, "e": 1088.0, "name": "SrOsO3", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 0.98999999999999999, "time": 1647.1648509502411}


unique_id: 3b17f75581aed3471b437377a9a443ed
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "perovskite", "niter": 33, "kptdensity": 12.0, "e": 1088.0, "name": "KZnF3", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.01, "time": 4590.5693781375885}


unique_id: 1c35e33bac56af700cbbbb8ea02a3b7f
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "perovskite", "niter": 36, "kptdensity": 12.0, "e": 1088.0, "name": "SrReO3", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 0.97999999999999998, "time": 4813.6698279380798}


unique_id: 7ead9a9e803a670e5ba949b6eb9de2f3
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 33, "kptdensity": 12.0, "e": 1088.0, "name": "BiYPd", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.0, "time": 2061.2642920017242}


unique_id: 1dff700e9d7bd6f88d102d9630d98613
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "perovskite", "niter": 25, "kptdensity": 12.0, "e": 1088.0, "name": "SrOsO3", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.0, "time": 1532.1932890415192}


unique_id: 5af345640bdc1f71e0c576969135b70f
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "perovskite", "niter": 29, "kptdensity": 12.0, "e": 1088.0, "name": "SrPtO3", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 0.98999999999999999, "time": 1795.8022899627686}


unique_id: 48d7ae5ee5b8e0ac6b64653e5ca3e39b
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "perovskite", "niter": 25, "kptdensity": 12.0, "e": 1088.0, "name": "KCdF3", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.02, "time": 3438.4727799892426}


unique_id: ca87080b7c010c2e76b2d720b7f5cf2f
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 29, "kptdensity": 12.0, "e": 1088.0, "name": "BiYNi", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.01, "time": 3230.7728111743927}


unique_id: 93f662d2a84db7789b2ab77bc0087c90
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "perovskite", "niter": 27, "kptdensity": 12.0, "e": 1088.0, "name": "BiAuO3", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 0.97999999999999998, "time": 4289.5728240013123}


unique_id: d7ff1d6bad42bbe87ae960ae164f421c
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 28, "kptdensity": 12.0, "e": 1088.0, "name": "BiYPd", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.01, "time": 1742.4522540569305}


unique_id: db2a6c7ed9613ac3911d75ac29e7d0b5
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "perovskite", "niter": 22, "kptdensity": 12.0, "e": 1088.0, "name": "SrTaO3", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 0.98999999999999999, "time": 3487.549113035202}


unique_id: 309ca7f7865eacb83abaf257bff57009
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "perovskite", "niter": 26, "kptdensity": 12.0, "e": 1088.0, "name": "SrOsO3", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.01, "time": 1555.388062953949}


unique_id: d55185fba3b9f4899b6e0e71970b4095
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "perovskite", "niter": 27, "kptdensity": 12.0, "e": 1088.0, "name": "SrPtO3", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.0, "time": 1639.5622940063477}


unique_id: 282ae16765d2e99b882bd518033f081b
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "perovskite", "niter": 33, "kptdensity": 12.0, "e": 1088.0, "name": "KZnF3", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.02, "time": 4589.4409139156342}


unique_id: 7ff064c4ec841a4cddd94dc4a42909e1
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "perovskite", "niter": 27, "kptdensity": 12.0, "e": 1088.0, "name": "SrOsO3", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.02, "time": 1613.2367808818817}


unique_id: 72175d0278588dc49e7e25db7d31d43e
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 31, "kptdensity": 12.0, "e": 1088.0, "name": "BiYPd", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.02, "time": 1950.1395621299744}


unique_id: 9323921c9d84b005e3a77cdd92bfb35c
username: dulak
data: {}
key_value_pairs:
  {"category": "perovskite", "kptdensity": 12.0, "e": 1088.0, "name": "LaBRh3", "width": 0.01, "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "linspacestr": "0.98x1.02x5", "constant_basis": true, "potentials": "gpaw", "x": 0.97999999999999998}


unique_id: f1f25f68742b4537e5c116eb9d8ebe6e
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "perovskite", "niter": 30, "kptdensity": 12.0, "e": 1088.0, "name": "SrPtO3", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.01, "time": 1821.2471599578857}


unique_id: 54fa81164af043fd13c96a47e6be1786
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "perovskite", "niter": 38, "kptdensity": 12.0, "e": 1088.0, "name": "SrReO3", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 0.98999999999999999, "time": 5179.5808849334717}


unique_id: 20521faa0bb15373e926b2b2c9a532d2
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 28, "kptdensity": 12.0, "e": 1088.0, "name": "BiZrCo", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 0.97999999999999998, "time": 1143.5881688594818}


unique_id: 83a8845aae180459f043b64e21ab2041
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 30, "kptdensity": 12.0, "e": 1088.0, "name": "BiYNi", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.02, "time": 3282.2834441661835}


unique_id: 80004d169283da0b37d4dfdfcae4f9cf
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "perovskite", "niter": 24, "kptdensity": 12.0, "e": 1088.0, "name": "SrTaO3", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.0, "time": 3737.4844670295715}


unique_id: 358c84a057a99ee93657bca7ddaa4801
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "perovskite", "niter": 27, "kptdensity": 12.0, "e": 1088.0, "name": "SrPtO3", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.02, "time": 1630.6535151004791}


unique_id: 5b4037d784c4f96da836b1e764d6a30d
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "perovskite", "niter": 31, "kptdensity": 12.0, "e": 1088.0, "name": "KHgF3", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 0.97999999999999998, "time": 4796.7414209842682}


unique_id: 2ec36e537681e9b0bbc186e1975b44b6
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 30, "kptdensity": 12.0, "e": 1088.0, "name": "BiZrCo", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 0.98999999999999999, "time": 1220.6981558799744}


unique_id: d57b2ff90fe0f9d4a21f2f8bbc8bfba9
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 29, "kptdensity": 12.0, "e": 1088.0, "name": "BiZrNi", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 0.97999999999999998, "time": 2920.2042639255524}


unique_id: 6ed8916fbdba93bba0840214c9b404da
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "perovskite", "niter": 25, "kptdensity": 12.0, "e": 1088.0, "name": "TlCTi3", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 0.97999999999999998, "time": 3030.4503049850464}


unique_id: 1d0f477773f72a883c658ce553abd678
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "perovskite", "niter": 32, "kptdensity": 12.0, "e": 1088.0, "name": "BiAuO3", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 0.98999999999999999, "time": 5214.9086878299713}


unique_id: 938b370989faa5c5dc2206f88b88bc0f
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 29, "kptdensity": 12.0, "e": 1088.0, "name": "BiZrCo", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.0, "time": 1183.2358310222626}


unique_id: 48eb70bff8675783bfc8538fd4fb964b
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "perovskite", "niter": 29, "kptdensity": 12.0, "e": 1088.0, "name": "SrGeO3", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 0.97999999999999998, "time": 1680.5383598804474}


unique_id: 3b42aa1b8fc0b10e1b892137c3b39fb9
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 39, "kptdensity": 12.0, "e": 1088.0, "name": "CaZnSn", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 0.97999999999999998, "time": 2584.6788938045502}


unique_id: ad23c1322c58543d8334bf2f3d39dfd6
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 30, "kptdensity": 12.0, "e": 1088.0, "name": "BiZrCo", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.01, "time": 1220.156112909317}


unique_id: 9010040ef81ac1bd44c25528316c7fec
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "perovskite", "niter": 35, "kptdensity": 12.0, "e": 1088.0, "name": "SrReO3", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.0, "time": 4680.9513540267944}


unique_id: 55b8d460bd9f1faad3ade8aa404806a9
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "perovskite", "niter": 26, "kptdensity": 12.0, "e": 1088.0, "name": "SrGeO3", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 0.98999999999999999, "time": 1505.4218649864197}


unique_id: fcea89be0923a6d0671c87895ab9ab2e
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "perovskite", "niter": 24, "kptdensity": 12.0, "e": 1088.0, "name": "TlCTi3", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 0.98999999999999999, "time": 2916.2721819877625}


unique_id: de84f757c318478f4b3aa225e51d6694
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 30, "kptdensity": 12.0, "e": 1088.0, "name": "BiZrNi", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 0.98999999999999999, "time": 3118.9079079627991}


unique_id: 6a00fffdef9985584f709975d1396b1c
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 30, "kptdensity": 12.0, "e": 1088.0, "name": "BiZrCo", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.02, "time": 1221.1340708732605}


unique_id: 20eef858238653300bba405fc423a1b2
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "perovskite", "niter": 27, "kptdensity": 12.0, "e": 1088.0, "name": "SrTaO3", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.01, "time": 4088.7834658622742}


unique_id: af94bb3cc7b48d5a181cbcec81fef8cd
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 49, "kptdensity": 12.0, "e": 1088.0, "name": "CaZnSn", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 0.98999999999999999, "time": 3222.691663980484}


unique_id: e68ec5249b08a1afe96f3fa0683cbb9e
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "perovskite", "niter": 32, "kptdensity": 12.0, "e": 1088.0, "name": "KHgF3", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 0.98999999999999999, "time": 5038.6945538520813}


unique_id: 82fc61c8d7a04cf73a2e9b23bcd9ea70
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "perovskite", "niter": 29, "kptdensity": 12.0, "e": 1088.0, "name": "SrGeO3", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.0, "time": 1678.7130689620972}


unique_id: bce01046b6574a5053285accb4b784b6
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "perovskite", "niter": 27, "kptdensity": 12.0, "e": 1088.0, "name": "BiAuO3", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.0, "time": 4291.0448970794678}


unique_id: ca391c7d2d556fe0370c23d93b44d7f2
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 41, "kptdensity": 12.0, "e": 1088.0, "name": "CaZnZr", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 0.97999999999999998, "time": 2071.7255079746246}


unique_id: 6f7a7bd30f20fc592b53eced6d731f8c
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "perovskite", "niter": 25, "kptdensity": 12.0, "e": 1088.0, "name": "TlCTi3", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.0, "time": 3011.136500120163}


unique_id: 55cd82eed0ce35996bceb03f36db73e2
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "perovskite", "niter": 28, "kptdensity": 12.0, "e": 1088.0, "name": "SrGeO3", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.01, "time": 1647.2856569290161}


unique_id: 232611b33ff4fdfc1c0bfa380f2a33ff
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 30, "kptdensity": 12.0, "e": 1088.0, "name": "BiZrNi", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.0, "time": 3144.061714887619}


unique_id: 6968b26a3119173537ec9acbaad46316
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "perovskite", "niter": 23, "kptdensity": 12.0, "e": 1088.0, "name": "SnTiO3", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 0.97999999999999998, "time": 5003.7590248584747}


unique_id: d6bde0845fb4f714d11b87e50f5a5155
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 36, "kptdensity": 12.0, "e": 1088.0, "name": "CaZnZr", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 0.98999999999999999, "time": 1803.5376811027527}


unique_id: 515721165382f525aa1aad3856c96d72
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "perovskite", "niter": 24, "kptdensity": 12.0, "e": 1088.0, "name": "SrTaO3", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.02, "time": 3659.8566761016846}


unique_id: 41fd9905a8cc6bf96d612b123143601d
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 49, "kptdensity": 12.0, "e": 1088.0, "name": "CaZnSn", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.0, "time": 3325.3411929607391}


unique_id: 115fd083498dbc61d70d24cb14853a91
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "perovskite", "niter": 26, "kptdensity": 12.0, "e": 1088.0, "name": "SrGeO3", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.02, "time": 1519.863340139389}


unique_id: c54cb800deb1cfaf23de38022e34d531
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "perovskite", "niter": 40, "kptdensity": 12.0, "e": 1088.0, "name": "SrReO3", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.01, "time": 5899.7721848487854}


unique_id: 518c22c180e2825ed2ac6a898fcdd125
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "perovskite", "niter": 24, "kptdensity": 12.0, "e": 1088.0, "name": "BiAuO3", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.01, "time": 3824.5199511051178}


unique_id: aaa97c8b6d224c4d8885405eb2dbf4a1
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 40, "kptdensity": 12.0, "e": 1088.0, "name": "CaZnZr", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.0, "time": 2009.2258629798889}


unique_id: 6b0af5bf822ea0e6e04f2224758e4018
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 29, "kptdensity": 12.0, "e": 1088.0, "name": "BiZrNi", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.01, "time": 3079.0977070331573}


unique_id: 509cdcbd8fceb530025c1f5a450bc6eb
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "perovskite", "niter": 23, "kptdensity": 12.0, "e": 1088.0, "name": "PbTiO3", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 0.97999999999999998, "time": 3616.2660598754883}


unique_id: d1406b4a48ffa4068962a0d59ff90f53
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "perovskite", "niter": 25, "kptdensity": 12.0, "e": 1088.0, "name": "TlCTi3", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.01, "time": 4204.7707278728485}


unique_id: 2f53ba102b52f5e0eea1cd9d4ca05e39
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "perovskite", "niter": 39, "kptdensity": 12.0, "e": 1088.0, "name": "KHgF3", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.0, "time": 6270.475056886673}


unique_id: 4e34a071f85ec7b5b43d9ffb5152221c
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 45, "kptdensity": 12.0, "e": 1088.0, "name": "CaZnSn", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.01, "time": 3062.9383280277252}


unique_id: ec431d12d9bbed2fdec7a6562468d996
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "perovskite", "niter": 43, "kptdensity": 12.0, "e": 1088.0, "name": "SbNCa3", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 0.97999999999999998, "time": 3030.1777510643005}


unique_id: 22f644c83b7ffd2eb036cf0a6c53f89a
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 36, "kptdensity": 12.0, "e": 1088.0, "name": "CaZnZr", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.01, "time": 1795.7822721004486}


unique_id: fbd43dadc303bf8028dfbbfdc55e27d3
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "perovskite", "niter": 28, "kptdensity": 12.0, "e": 1088.0, "name": "SnTiO3", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 0.98999999999999999, "time": 5992.9452171325684}


unique_id: fc8fb5cb88c23023bfd279a00587a502
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "perovskite", "niter": 40, "kptdensity": 12.0, "e": 1088.0, "name": "AsNCa3", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 0.97999999999999998, "time": 5396.4976451396942}


unique_id: 9adc2287f62c7c268cfc31c5d4d5c4ca
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "perovskite", "niter": 55, "kptdensity": 12.0, "e": 1088.0, "name": "PNCa3", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 0.97999999999999998, "time": 6886.0855801105499}


unique_id: 30e4537d6727d29ce8ce3d3448ee17a7
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 35, "kptdensity": 12.0, "e": 1088.0, "name": "BiZrNi", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.02, "time": 3591.3225879669189}


unique_id: 574f9ba72d3a7eaf42585e40796ebb3e
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "perovskite", "niter": 34, "kptdensity": 12.0, "e": 1088.0, "name": "SrReO3", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.02, "time": 4833.7812321186066}


unique_id: a68876f251deada4de1ff23d42cb6ab4
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 50, "kptdensity": 12.0, "e": 1088.0, "name": "CaZnZr", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.02, "time": 2520.9079020023346}


unique_id: c90cf6467ee2abc50e885ecac7d1f92f
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "perovskite", "niter": 29, "kptdensity": 12.0, "e": 1088.0, "name": "BiAuO3", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.02, "time": 4548.0594229698181}


unique_id: 5af5dfdd8ab627fdeaed9c92cba0173d
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "perovskite", "niter": 26, "kptdensity": 12.0, "e": 1088.0, "name": "PbTiO3", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 0.98999999999999999, "time": 4081.8954751491547}


unique_id: cfd61c6444dc35f56bc055687025f20e
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "perovskite", "niter": 33, "kptdensity": 12.0, "e": 1088.0, "name": "SbNCa3", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 0.98999999999999999, "time": 2986.6800508499146}


unique_id: 7a0b276b3d34722f6ed40a1c02c1d1e6
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 48, "kptdensity": 12.0, "e": 1088.0, "name": "CaZnSn", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.02, "time": 3280.2809190750122}


unique_id: 6470e500256b10f85560fd860e02f537
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 25, "kptdensity": 12.0, "e": 1088.0, "name": "CdPLi", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 0.97999999999999998, "time": 1011.0000548362732}


unique_id: 9f56e643154ad55dc839044eedd734a7
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 31, "kptdensity": 12.0, "e": 1088.0, "name": "CoMnSb", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 0.97999999999999998, "time": 1057.8904559612274}


unique_id: 34e7e920fdebe40f0904ea6dc1c3bda8
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "perovskite", "niter": 28, "kptdensity": 12.0, "e": 1088.0, "name": "TlCTi3", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.02, "time": 4701.975478887558}


unique_id: 22dc805f265f21f182432e8f818b3f58
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 26, "kptdensity": 12.0, "e": 1088.0, "name": "CdPLi", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 0.98999999999999999, "time": 1085.317281961441}


unique_id: b15e41afee51455f56ae70535c8c2579
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "perovskite", "niter": 32, "kptdensity": 12.0, "e": 1088.0, "name": "KHgF3", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.01, "time": 5055.141655921936}


unique_id: 8bc05fd503b30b063d0b8cf5295f561f
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 35, "kptdensity": 12.0, "e": 1088.0, "name": "CoMnSb", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 0.98999999999999999, "time": 1189.3013391494751}


unique_id: a294450022a9676eb59455850b9e2c50
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 23, "kptdensity": 12.0, "e": 1088.0, "name": "CdPLi", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.0, "time": 903.20610499382019}


unique_id: bdffb18debdb01c1f8e4b659bdeb7618
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "perovskite", "niter": 28, "kptdensity": 12.0, "e": 1088.0, "name": "KMgCl3", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 0.97999999999999998, "time": 1577.6172008514404}


unique_id: 7c2600ce7a35e267a7078568be606c71
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 30, "kptdensity": 12.0, "e": 1088.0, "name": "CoNbSn", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 0.97999999999999998, "time": 2673.8001642227173}


unique_id: fce4a30ce30613c479af0106e4b6857f
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "perovskite", "niter": 34, "kptdensity": 12.0, "e": 1088.0, "name": "SbNCa3", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.0, "time": 3082.8171279430389}


unique_id: 34fad8fb04f10805362ea271e0a99d47
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "perovskite", "niter": 35, "kptdensity": 12.0, "e": 1088.0, "name": "AsNCa3", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 0.98999999999999999, "time": 4614.7976229190826}


unique_id: f562d04d2d27dd5e0b8df408a23ec4d5
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 21, "kptdensity": 12.0, "e": 1088.0, "name": "CdPLi", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.01, "time": 1011.135960817337}


unique_id: 9bd68bb8e5bacaf78e681f417f7f00eb
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 49, "kptdensity": 12.0, "e": 1088.0, "name": "CoMnSb", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.0, "time": 1661.0938930511475}


unique_id: 9f0e65a750a2032d6760facd5ce521fb
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "perovskite", "niter": 26, "kptdensity": 12.0, "e": 1088.0, "name": "PbTiO3", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.0, "time": 4098.6479470729828}


unique_id: cc2fcd72cc6eb958d25d0f62de18a07c
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "perovskite", "niter": 43, "kptdensity": 12.0, "e": 1088.0, "name": "PNCa3", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 0.98999999999999999, "time": 5656.3053250312805}


unique_id: 7f15628fcb77f535e7c984173fe3644c
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "perovskite", "niter": 31, "kptdensity": 12.0, "e": 1088.0, "name": "SrTiSe3", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 0.97999999999999998, "time": 5126.4564089775085}


unique_id: 55cd1bd346a86de0012c3042170f61be
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "perovskite", "niter": 28, "kptdensity": 12.0, "e": 1088.0, "name": "SnTiO3", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.0, "time": 6066.3075339794159}


unique_id: d8af8f1493819a9bbfb003f300323594
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 23, "kptdensity": 12.0, "e": 1088.0, "name": "CdPLi", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.02, "time": 1127.2488257884979}


unique_id: ac962b0da442742277c2482b0cec553c
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "perovskite", "niter": 33, "kptdensity": 12.0, "e": 1088.0, "name": "KMgCl3", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 0.98999999999999999, "time": 1846.6744801998138}


unique_id: eaf6e676fd2cbcf3203fb4cf9d36257e
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "perovskite", "niter": 31, "kptdensity": 12.0, "e": 1088.0, "name": "SrTiS3", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 0.97999999999999998, "time": 5507.2712199687958}


unique_id: c159ea9d8cc1d979e5335332e79a93d9
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 47, "kptdensity": 12.0, "e": 1088.0, "name": "CoMnSb", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.01, "time": 1601.4535450935364}


unique_id: 80ea784d12b02b4def72a39eaa326b13
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "perovskite", "niter": 26, "kptdensity": 12.0, "e": 1088.0, "name": "BaZrTe3", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 0.97999999999999998, "time": 5497.7196531295776}


unique_id: 1a91778956929d9d1fa69bd96153d67d
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 34, "kptdensity": 12.0, "e": 1088.0, "name": "CoNbSn", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 0.98999999999999999, "time": 3101.1314649581909}


unique_id: e51496dc68b500ecee711897c904d114
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "perovskite", "niter": 31, "kptdensity": 12.0, "e": 1088.0, "name": "CsPbBr3", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 0.97999999999999998, "time": 4437.3824172019958}


unique_id: 7c957d6d70c35f6ebf2f647dde95179f
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "perovskite", "niter": 34, "kptdensity": 12.0, "e": 1088.0, "name": "SbNCa3", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.01, "time": 3062.2023711204529}


unique_id: 7e18c4f51419d335c7a25ddfce3a0505
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "perovskite", "niter": 30, "kptdensity": 12.0, "e": 1088.0, "name": "KMgCl3", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.0, "time": 1681.2567870616913}


unique_id: 33c5d66386f8268720e0788c9a84eecc
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 43, "kptdensity": 12.0, "e": 1088.0, "name": "CoMnSb", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.02, "time": 1475.9392969608307}


unique_id: d5dcf67d6d6f2207b2860681bbf9ca16
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "perovskite", "niter": 33, "kptdensity": 12.0, "e": 1088.0, "name": "KHgF3", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.02, "time": 5400.3575880527496}


unique_id: bf1ebe2d03d2a2909dc47ee86ef42665
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 30, "kptdensity": 12.0, "e": 1088.0, "name": "CoSnMo", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 0.97999999999999998, "time": 2695.6155958175659}


unique_id: 1b3bb9e7bf80f1568141392b9a302f79
username: dulak
data: {}
key_value_pairs:
  {"category": "halfheusler", "kptdensity": 12.0, "e": 1088.0, "name": "CoSnTc", "width": 0.01, "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "linspacestr": "0.98x1.02x5", "constant_basis": true, "potentials": "gpaw", "x": 0.97999999999999998}


unique_id: 95897a7bdc7af404599693c45977fa38
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 33, "kptdensity": 12.0, "e": 1088.0, "name": "CoSnNb", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 0.97999999999999998, "time": 1335.6831669807434}


unique_id: b3b557d4a83618dfee243c7483162c23
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "perovskite", "niter": 30, "kptdensity": 12.0, "e": 1088.0, "name": "KMgCl3", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.01, "time": 1678.6143281459808}


unique_id: 3e5725d63ced07809e9c3311ae96de7a
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "perovskite", "niter": 27, "kptdensity": 12.0, "e": 1088.0, "name": "SrTiSe3", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 0.98999999999999999, "time": 4397.7706940174103}


unique_id: 4a5d0afcf36c8ac1354a13d44e83e343
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "perovskite", "niter": 29, "kptdensity": 12.0, "e": 1088.0, "name": "PbTiO3", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.01, "time": 5004.1213800907135}


unique_id: d4bdf7ef8be0b28676c0c76681bd31db
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "perovskite", "niter": 33, "kptdensity": 12.0, "e": 1088.0, "name": "SbNCa3", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.02, "time": 3005.7793459892273}


unique_id: 4e1a9044907ccbad57d235a749d23e65
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 37, "kptdensity": 12.0, "e": 1088.0, "name": "CoNbSn", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.0, "time": 3290.7210540771484}


unique_id: c40f8588541b9fb94695ecd171905aad
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 37, "kptdensity": 12.0, "e": 1088.0, "name": "CoSnNb", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 0.98999999999999999, "time": 1497.1321330070496}


unique_id: ebc21af94ec277d735078ece78d5900d
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "perovskite", "niter": 26, "kptdensity": 12.0, "e": 1088.0, "name": "CsPbBr3", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 0.98999999999999999, "time": 3929.4974989891052}


unique_id: 7a0fd118c72e0295438b73d0f21d316b
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 31, "kptdensity": 12.0, "e": 1088.0, "name": "CoSnMo", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 0.98999999999999999, "time": 2737.3569910526276}


unique_id: 8c29982f8a0a9ff9cab0d7a2fbf8fded
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "perovskite", "niter": 31, "kptdensity": 12.0, "e": 1088.0, "name": "SrTiS3", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 0.98999999999999999, "time": 5259.3966729640961}


unique_id: a7f9203ad81929997639f4464f946255
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "perovskite", "niter": 34, "kptdensity": 12.0, "e": 1088.0, "name": "KMgCl3", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.02, "time": 1911.9045958518982}


unique_id: cae78e1b2d099f7d573b392e441b6d1a
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "perovskite", "niter": 46, "kptdensity": 12.0, "e": 1088.0, "name": "PNCa3", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.0, "time": 5955.4644191265106}


unique_id: cc2b441804a8638a6354e5d13caf18ea
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 31, "kptdensity": 12.0, "e": 1088.0, "name": "CoSnTi", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 0.97999999999999998, "time": 2884.9768040180206}


unique_id: 6560bbe09ca1b52e72c8aafef9f6bde9
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "perovskite", "niter": 53, "kptdensity": 12.0, "e": 1088.0, "name": "AsNCa3", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.0, "time": 7142.2744510173798}


unique_id: dcf7c7e945a2a2eee3d7f7a0fc47286b
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 37, "kptdensity": 12.0, "e": 1088.0, "name": "CoZrSb", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 0.97999999999999998, "time": 1393.0785450935364}


unique_id: a079d05694a89714046d8b9702659c21
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 36, "kptdensity": 12.0, "e": 1088.0, "name": "CoSnNb", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.0, "time": 1459.3989450931549}


unique_id: 44ea2df26810c6818229fa04cd45ea41
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "perovskite", "niter": 29, "kptdensity": 12.0, "e": 1088.0, "name": "SnTiO3", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.01, "time": 6285.8542540073395}


unique_id: 6de5e3aca1875a63a4d6a82a31bbed9e
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 35, "kptdensity": 12.0, "e": 1088.0, "name": "CrSbNi", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 0.97999999999999998, "time": 1025.5842900276184}


unique_id: 9b1a1fa7d318a053a33b0d7696974c26
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 26, "kptdensity": 12.0, "e": 1088.0, "name": "CoZrSb", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 0.98999999999999999, "time": 981.6211199760437}


unique_id: 774ce1492468998a69eca28e7fd64b1d
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 29, "kptdensity": 12.0, "e": 1088.0, "name": "CoNbSn", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.01, "time": 2574.3700039386749}


unique_id: 1826e612e1d564480883e52fe252d34f
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 28, "kptdensity": 12.0, "e": 1088.0, "name": "CoSnNb", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.01, "time": 1132.641489982605}


unique_id: ff36082426f3cc87872e158cf3ec1647
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "perovskite", "niter": 31, "kptdensity": 12.0, "e": 1088.0, "name": "CsPbI3", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 0.97999999999999998, "time": 5884.4320509433746}


unique_id: c512da41b4cb7be904e25baf6299c9b7
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 31, "kptdensity": 12.0, "e": 1088.0, "name": "CrSbNi", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 0.98999999999999999, "time": 909.86619591712952}


unique_id: 4020855acb7ba4d5c0ae9f0dc4c79d45
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 30, "kptdensity": 12.0, "e": 1088.0, "name": "CoZrSb", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.0, "time": 1129.5219922065735}


unique_id: bcb0c8549317fccd13bde138d07641cc
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 28, "kptdensity": 12.0, "e": 1088.0, "name": "CoSnTi", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 0.98999999999999999, "time": 2627.2205200195312}


unique_id: 446cf20568fb8fb49cc2dfe9a1879aa2
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 28, "kptdensity": 12.0, "e": 1088.0, "name": "CoSnNb", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.02, "time": 1132.9370009899139}


unique_id: 43253bf80594db1ac46f43ded537d6fc
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 34, "kptdensity": 12.0, "e": 1088.0, "name": "CrSbNi", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.0, "time": 994.16381406784058}


unique_id: 6a042959b6ccdca79370ca750fdd90d3
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "perovskite", "niter": 31, "kptdensity": 12.0, "e": 1088.0, "name": "BaZrTe3", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 0.98999999999999999, "time": 8126.3113579750061}


unique_id: a830707fb0966e66c9a94fd7a4821e30
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 35, "kptdensity": 12.0, "e": 1088.0, "name": "CoSnMo", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.0, "time": 3135.2704961299896}


unique_id: 59662546cdef2e951a2124d3c46e7c23
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 27, "kptdensity": 12.0, "e": 1088.0, "name": "CuAlGe", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 0.97999999999999998, "time": 507.48320603370667}


unique_id: 85997304b36179ebbb474534baf86096
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "perovskite", "niter": 30, "kptdensity": 12.0, "e": 1088.0, "name": "SrTiSe3", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.0, "time": 4997.9806320667267}


unique_id: ffcc32fb24257bf6704084fe168ac609
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "perovskite", "niter": 29, "kptdensity": 12.0, "e": 1088.0, "name": "PbTiO3", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.02, "time": 5041.6226189136505}


unique_id: c95ee5d9e00efd62fc53e2c9b179b3c7
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 32, "kptdensity": 12.0, "e": 1088.0, "name": "CoZrSb", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.01, "time": 1296.7640898227692}


unique_id: 90df1b1d4aeb9400a501faabc0e59d46
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 36, "kptdensity": 12.0, "e": 1088.0, "name": "CrSbNi", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.01, "time": 1054.1145241260529}


unique_id: 23eb441aa1d183b0b5f8ad78b1205079
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 27, "kptdensity": 12.0, "e": 1088.0, "name": "CuAlGe", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 0.98999999999999999, "time": 507.04194283485413}


unique_id: 9640a7190982b94a7174fbc43061d14c
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "perovskite", "niter": 24, "kptdensity": 12.0, "e": 1088.0, "name": "CsPbBr3", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.0, "time": 4300.784805059433}


unique_id: 4a5991dfee32491eaa86d46f7541c50d
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 31, "kptdensity": 12.0, "e": 1088.0, "name": "CoNbSn", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.02, "time": 2850.3969459533691}


unique_id: ddf4c593c403ac8ee200b70ab173b602
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 32, "kptdensity": 12.0, "e": 1088.0, "name": "CuAlGe", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.0, "time": 598.85238885879517}


unique_id: ef6ce4e30ef19ca847967212d408c990
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 35, "kptdensity": 12.0, "e": 1088.0, "name": "CrSbNi", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.02, "time": 1032.3533940315247}


unique_id: 1fe77d441e393a49da109f9e1904ae61
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 46, "kptdensity": 12.0, "e": 1088.0, "name": "CsZnBi", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 0.97999999999999998, "time": 4419.0539100170135}


unique_id: c0eab8378c20844861235cb413908084
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 28, "kptdensity": 12.0, "e": 1088.0, "name": "CoZrSb", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.02, "time": 1135.8618550300598}


unique_id: ba68f54add430455d5ce73272b8cdbfd
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "perovskite", "niter": 42, "kptdensity": 12.0, "e": 1088.0, "name": "PNCa3", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.01, "time": 5383.9845659732819}


unique_id: ea0db17b720ef527a25fb5df3dd1fcb3
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "perovskite", "niter": 31, "kptdensity": 12.0, "e": 1088.0, "name": "SrTiS3", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.0, "time": 5488.5562789440155}


unique_id: 18dfb5fb3f6fa449bae1338ee638eaa3
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 36, "kptdensity": 12.0, "e": 1088.0, "name": "CuAlGe", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.01, "time": 671.57795381546021}


unique_id: 526f22895e6372ac33d001f5f0f17ee4
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 30, "kptdensity": 12.0, "e": 1088.0, "name": "CoSnTi", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.0, "time": 2688.7452149391174}


unique_id: 8893c00236ac63386692b226dab04493
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 28, "kptdensity": 12.0, "e": 1088.0, "name": "CuAlSn", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 0.97999999999999998, "time": 1748.2496399879456}


unique_id: 4f139434d69eb68151d5fb11c0546b0a
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 33, "kptdensity": 12.0, "e": 1088.0, "name": "CoSnMo", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.01, "time": 2966.6716389656067}


unique_id: 4ac6d82cfb0acab901fc477ef7311b0b
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 28, "kptdensity": 12.0, "e": 1088.0, "name": "CuMgAs", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 0.97999999999999998, "time": 1419.666955947876}


unique_id: 155d250903057985ba62ff3c693aef41
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 29, "kptdensity": 12.0, "e": 1088.0, "name": "CuAlGe", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.02, "time": 611.76412415504456}


unique_id: 9b310f14c7606a8e96a44126056f5ba5
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 32, "kptdensity": 12.0, "e": 1088.0, "name": "CuMgSn", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 0.97999999999999998, "time": 1051.8451170921326}


unique_id: eec85d5722a94d6ea13c071fc0c320f9
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 35, "kptdensity": 12.0, "e": 1088.0, "name": "CuScSn", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 0.97999999999999998, "time": 1453.1234288215637}


unique_id: 2611bc1ae4c92cc55ffc93ab56cd6704
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 27, "kptdensity": 12.0, "e": 1088.0, "name": "CuYSi", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 0.97999999999999998, "time": 914.98336911201477}


unique_id: 2d677f60ba18cf20f748f462e4d8e603
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 33, "kptdensity": 12.0, "e": 1088.0, "name": "CuMgSn", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 0.98999999999999999, "time": 1083.5607988834381}


unique_id: 97ad2eaab5e81bb5d052a4d6c5b40031
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "perovskite", "niter": 27, "kptdensity": 12.0, "e": 1088.0, "name": "SnTiO3", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.02, "time": 6354.7544641494751}


unique_id: 526a79f1ab9b57c97ce0a091cfa97b15
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 24, "kptdensity": 12.0, "e": 1088.0, "name": "CuMgAs", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 0.98999999999999999, "time": 1432.7474789619446}


unique_id: eab88881ae7c475cefd2c517caa181bb
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "perovskite", "niter": 42, "kptdensity": 12.0, "e": 1088.0, "name": "AsNCa3", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.01, "time": 7494.6027829647064}


unique_id: 238ddd751aa63c820643a34dd4e14b79
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 28, "kptdensity": 12.0, "e": 1088.0, "name": "CuAlSn", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 0.98999999999999999, "time": 1718.3480489253998}


unique_id: 5bd07d8808502fe12cab56cc25d27591
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 34, "kptdensity": 12.0, "e": 1088.0, "name": "CuScSn", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 0.98999999999999999, "time": 1434.9710819721222}


unique_id: ee6926b1318fe091dbd19f0985fac639
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 29, "kptdensity": 12.0, "e": 1088.0, "name": "CuYSi", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 0.98999999999999999, "time": 989.10275411605835}


unique_id: 1aeba07a0085ae652b258ad8e8e9fba2
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 28, "kptdensity": 12.0, "e": 1088.0, "name": "CoSnTi", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.01, "time": 2571.1553399562836}


unique_id: c8e8cc387e550ecc82f8966c20065590
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 28, "kptdensity": 12.0, "e": 1088.0, "name": "CuMgSn", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.0, "time": 968.87421798706055}


unique_id: ad5a99bf0d0fd4b02333c96ac366015c
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "perovskite", "niter": 35, "kptdensity": 12.0, "e": 1088.0, "name": "CsPbI3", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 0.98999999999999999, "time": 6704.1645538806915}


unique_id: c16f2ef83eea0bb074b3ff8a710f1583
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 32, "kptdensity": 12.0, "e": 1088.0, "name": "CoSnMo", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.02, "time": 2865.3686571121216}


unique_id: 663a3c38c84cf5bb19986bb346e7ecfd
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 28, "kptdensity": 12.0, "e": 1088.0, "name": "CuYSi", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.0, "time": 953.80974912643433}


unique_id: 988650b011e5336c558f311fd571f3a9
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "perovskite", "niter": 26, "kptdensity": 12.0, "e": 1088.0, "name": "CsPbBr3", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.01, "time": 4714.992684841156}


unique_id: 6127212a18d92ba43debde172ff29d7a
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 26, "kptdensity": 12.0, "e": 1088.0, "name": "CuMgAs", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.0, "time": 1554.5187609195709}


unique_id: a6286b544b7b6fb3b237f3f96a80adde
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 32, "kptdensity": 12.0, "e": 1088.0, "name": "CuMgSn", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.01, "time": 1109.7438879013062}


unique_id: 860195d160083204cfeb015d1363f725
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 31, "kptdensity": 12.0, "e": 1088.0, "name": "CuAlSn", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.0, "time": 1975.543753862381}


unique_id: ccf8963af80c2333d5918843a105c5f1
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 24, "kptdensity": 12.0, "e": 1088.0, "name": "FeSnTi", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 0.97999999999999998, "time": 2221.7664110660553}


unique_id: 10e97bcd19ee8bd1d79f3f6f9b44c036
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 24, "kptdensity": 12.0, "e": 1088.0, "name": "CuYSi", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.01, "time": 815.03761005401611}


unique_id: 8ef7f6216386ac5c1d421d55190815d6
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 50, "kptdensity": 12.0, "e": 1088.0, "name": "CsZnBi", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 0.98999999999999999, "time": 4914.6077749729156}


unique_id: 227777b9255c773c8cf918aac031842c
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 47, "kptdensity": 12.0, "e": 1088.0, "name": "CuScSn", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.0, "time": 2028.5816431045532}


unique_id: b03a0d21482602bc5286ea85bc616916
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "perovskite", "niter": 40, "kptdensity": 12.0, "e": 1088.0, "name": "SrTiSe3", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.01, "time": 6643.2402729988098}


unique_id: f21da45826eb8d0d9017661874e26208
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 28, "kptdensity": 12.0, "e": 1088.0, "name": "InLiGe", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 0.97999999999999998, "time": 1413.0785639286041}


unique_id: d7330fb87adcf3e8ce6cf7232ca48cbe
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 29, "kptdensity": 12.0, "e": 1088.0, "name": "CuMgSn", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.02, "time": 1002.8593420982361}


unique_id: e58f4098aa973dac7291e3c84da4f277
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 28, "kptdensity": 12.0, "e": 1088.0, "name": "CuMgAs", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.01, "time": 1602.6883690357208}


unique_id: 61767cf83884d439fda1b25d9dbea35c
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 25, "kptdensity": 12.0, "e": 1088.0, "name": "CuYSi", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.02, "time": 907.0363941192627}


unique_id: a69b991e89d5c67f4c4c3688adf8747f
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 31, "kptdensity": 12.0, "e": 1088.0, "name": "CoSnTi", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.02, "time": 2847.3488328456879}


unique_id: fa9d12b4ade8c29ccdb5fd37c6e5e80d
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 34, "kptdensity": 12.0, "e": 1088.0, "name": "CuYSn", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 0.97999999999999998, "time": 3732.363429069519}


unique_id: d9e006e38cedfbd7dccfa2692dabc834
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 25, "kptdensity": 12.0, "e": 1088.0, "name": "IrMnSn", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 0.97999999999999998, "time": 920.3181619644165}


unique_id: 28b27cd3128fd0aa03e2786c54fed86b
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 26, "kptdensity": 12.0, "e": 1088.0, "name": "CuAlSn", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.01, "time": 1618.1551828384399}


unique_id: a4a9a8edda188d5fb6c0b6dc071f8dd8
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 37, "kptdensity": 12.0, "e": 1088.0, "name": "CuScSn", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.01, "time": 1583.4134879112244}


unique_id: a32c0630434a5aa37b3b2dc49aec57a3
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "perovskite", "niter": 33, "kptdensity": 12.0, "e": 1088.0, "name": "BaZrTe3", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.0, "time": 8668.5151391029358}


unique_id: 994fd4b30a7f1b02a84f73da49536618
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 22, "kptdensity": 12.0, "e": 1088.0, "name": "InLiGe", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 0.98999999999999999, "time": 1121.7765960693359}


unique_id: 3fa207082c2469f46da6cb75fad7ff17
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "perovskite", "niter": 28, "kptdensity": 12.0, "e": 1088.0, "name": "SrTiS3", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.01, "time": 6397.804682970047}


unique_id: fdff83d323635eac1f79ce2cba0dc753
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 29, "kptdensity": 12.0, "e": 1088.0, "name": "FeSnTi", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 0.98999999999999999, "time": 2528.2741370201111}


unique_id: 3edbb79737a86b007689f0999fcbb068
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 28, "kptdensity": 12.0, "e": 1088.0, "name": "IrMnSn", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 0.98999999999999999, "time": 1137.6734118461609}


unique_id: dc3da93cfd7439e58e93a8af4041bdd7
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 46, "kptdensity": 12.0, "e": 1088.0, "name": "KZnBi", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 0.97999999999999998, "time": 1736.363648891449}


unique_id: c32772dc2e097995bae5a6cc149df2ca
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 30, "kptdensity": 12.0, "e": 1088.0, "name": "CuMgAs", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.02, "time": 1748.5861551761627}


unique_id: 76e04859f8c14abb5d68584b3e01bc54
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 31, "kptdensity": 12.0, "e": 1088.0, "name": "LiAlSn", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 0.97999999999999998, "time": 1644.3450310230255}


unique_id: c1db818027a45dea7b7024d525917aa0
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "perovskite", "niter": 45, "kptdensity": 12.0, "e": 1088.0, "name": "PNCa3", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.02, "time": 7832.5872340202332}


unique_id: ce7f2fae5130d79464ab346ac9464e34
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 36, "kptdensity": 12.0, "e": 1088.0, "name": "CuScSn", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.02, "time": 1522.6654069423676}


unique_id: 13a33c5877fb139028c70924c98ad225
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 30, "kptdensity": 12.0, "e": 1088.0, "name": "InLiGe", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.0, "time": 1514.4984300136566}


unique_id: f6b501229202661332a9121b40f7b517
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 31, "kptdensity": 12.0, "e": 1088.0, "name": "CuAlSn", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.02, "time": 1932.743537902832}


unique_id: 51aee9a6ac96a15a65d271ee3ce641af
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 17, "kptdensity": 12.0, "e": 1088.0, "name": "LiBaP", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 0.97999999999999998, "time": 307.30617308616638}


unique_id: 8037be2596317e39aa8af0239c3e9625
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 22, "kptdensity": 12.0, "e": 1088.0, "name": "LiAuS", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 0.97999999999999998, "time": 901.9766149520874}


unique_id: c1e60c264778a09f925ed23b8276aa66
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 29, "kptdensity": 12.0, "e": 1088.0, "name": "IrMnSn", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.0, "time": 1180.9975252151489}


unique_id: acb4a587fbccf2d9efabe6dbfefd820c
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 23, "kptdensity": 12.0, "e": 1088.0, "name": "LiBaP", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 0.98999999999999999, "time": 418.12268996238708}


unique_id: fe90c13222968834c18195a8c399d216
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 16, "kptdensity": 12.0, "e": 1088.0, "name": "LiCGa", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 0.97999999999999998, "time": 392.06149101257324}


unique_id: d114f07e704219dc8e7550e10bb285d0
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 39, "kptdensity": 12.0, "e": 1088.0, "name": "KZnBi", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 0.98999999999999999, "time": 1465.3912670612335}


unique_id: b219210f51e5aea28e8cb507210482f2
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 27, "kptdensity": 12.0, "e": 1088.0, "name": "LiAlSn", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 0.98999999999999999, "time": 1357.4155888557434}


unique_id: 47e8676b9401354ae38bff740d621c46
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "perovskite", "niter": 29, "kptdensity": 12.0, "e": 1088.0, "name": "CsPbI3", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.0, "time": 5586.1575729846954}


unique_id: bbc1aa810feb862f355ab4c98bf69c47
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "perovskite", "niter": 29, "kptdensity": 12.0, "e": 1088.0, "name": "CsPbBr3", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.02, "time": 5265.3657729625702}


unique_id: e714bdfc8b069113624de99598492d28
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 25, "kptdensity": 12.0, "e": 1088.0, "name": "LiCaP", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 0.97999999999999998, "time": 986.68052506446838}


unique_id: 552e741d33a9de15d541e854c8208d60
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 18, "kptdensity": 12.0, "e": 1088.0, "name": "LiBaP", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.0, "time": 324.57897400856018}


unique_id: ec836cb543cdc1e958bcb7ab6a48d8ee
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 15, "kptdensity": 12.0, "e": 1088.0, "name": "LiCGa", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 0.98999999999999999, "time": 375.57992386817932}


unique_id: 81c0e16f212ac35092fb60e5f123c8f1
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 22, "kptdensity": 12.0, "e": 1088.0, "name": "LiAuS", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 0.98999999999999999, "time": 889.17479991912842}


unique_id: 110cd5995195e4512cafdda6384f7c0c
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 27, "kptdensity": 12.0, "e": 1088.0, "name": "InLiGe", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.01, "time": 1375.2994768619537}


unique_id: 801f3dbc90ac7dd40143d8346348ace2
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 18, "kptdensity": 12.0, "e": 1088.0, "name": "LiBaP", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.01, "time": 354.79678893089294}


unique_id: 6a7dca57813b50ff4acf9245e0d84982
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 30, "kptdensity": 12.0, "e": 1088.0, "name": "CuYSn", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 0.98999999999999999, "time": 3572.4761898517609}


unique_id: abd3ceb562de22da3bbf162be319c221
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 29, "kptdensity": 12.0, "e": 1088.0, "name": "IrMnSn", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.01, "time": 1174.5844628810883}


unique_id: 1ef676e70ed236a68db6b53bbc896d01
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 15, "kptdensity": 12.0, "e": 1088.0, "name": "LiCGa", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.0, "time": 366.64143300056458}


unique_id: 5071419f277533ce0e45a92c6595b286
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "perovskite", "niter": 43, "kptdensity": 12.0, "e": 1088.0, "name": "AsNCa3", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.02, "time": 7581.5982398986816}


unique_id: 9459e591419fb554e0e21792551d79a5
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 48, "kptdensity": 12.0, "e": 1088.0, "name": "CsZnBi", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.0, "time": 5054.8505561351776}


unique_id: dfb8b4958b2255ea6be57db1e6aceada
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 18, "kptdensity": 12.0, "e": 1088.0, "name": "LiBaP", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.02, "time": 355.15334701538086}


unique_id: 229ff6d8b82e9a3a2493e7590b2f604d
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 15, "kptdensity": 12.0, "e": 1088.0, "name": "LiCGa", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.01, "time": 375.18425607681274}


unique_id: 8496e93b9d7e8e3bc5db221f0772f194
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 24, "kptdensity": 12.0, "e": 1088.0, "name": "LiCaP", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 0.98999999999999999, "time": 937.00321006774902}


unique_id: 3629c99f58118e9cbd29233b382938f1
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 33, "kptdensity": 12.0, "e": 1088.0, "name": "FeSnTi", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.0, "time": 3027.081020116806}


unique_id: 90b919c0466bc59a2f275ea5cc57d1f4
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "perovskite", "niter": 32, "kptdensity": 12.0, "e": 1088.0, "name": "SrTiSe3", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.02, "time": 5206.9985680580139}


unique_id: 53ce0a7d290b5856bbc8f5a0d8bf986d
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 19, "kptdensity": 12.0, "e": 1088.0, "name": "LiAuS", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.0, "time": 878.00217795372009}


unique_id: 28c9f6e6bd9baff8a68d5977458e9894
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 29, "kptdensity": 12.0, "e": 1088.0, "name": "LiAlSn", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.0, "time": 1455.0687119960785}


unique_id: ec68e068006920dd23f3caa866cc1b6b
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 27, "kptdensity": 12.0, "e": 1088.0, "name": "LiCuS", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 0.97999999999999998, "time": 1124.9598548412323}


unique_id: dcb6fbeaef0e1e4ba0c643a8d0d2886d
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 26, "kptdensity": 12.0, "e": 1088.0, "name": "LiCuSe", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 0.97999999999999998, "time": 452.49852395057678}


unique_id: e4fc07b90b7d73c254c02addf0a8a57d
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 15, "kptdensity": 12.0, "e": 1088.0, "name": "LiCGa", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.02, "time": 398.7371289730072}


unique_id: f457df37e74811e8dd45cd23d9482057
username: dulak
data: {}
key_value_pairs:
  {"category": "halfheusler", "kptdensity": 12.0, "e": 1088.0, "name": "LiLaGe", "width": 0.01, "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "linspacestr": "0.98x1.02x5", "constant_basis": true, "potentials": "gpaw", "x": 0.97999999999999998}


unique_id: 8f40f109df8259e81748903480bc818a
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 46, "kptdensity": 12.0, "e": 1088.0, "name": "KZnBi", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.0, "time": 1911.3937330245972}


unique_id: 5a0319f05c68d2a23e01187cf2eb819b
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 30, "kptdensity": 12.0, "e": 1088.0, "name": "IrMnSn", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.02, "time": 1217.5976250171661}


unique_id: 12253628d6a0b8e690137be9e0db9c46
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 27, "kptdensity": 12.0, "e": 1088.0, "name": "InLiGe", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.02, "time": 1397.417937040329}


unique_id: 2f8888fe0b00934f13df0a8fd4011165
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 28, "kptdensity": 12.0, "e": 1088.0, "name": "LiCuSe", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 0.98999999999999999, "time": 482.25762581825256}


unique_id: 79ed84182876f9979ab65ab27ee79692
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 16, "kptdensity": 12.0, "e": 1088.0, "name": "LiSiGa", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 0.97999999999999998, "time": 490.59011101722717}


unique_id: 6a4de5094628dac3a8a18d98b1e62993
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 23, "kptdensity": 12.0, "e": 1088.0, "name": "LiCaP", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.0, "time": 894.97802805900574}


unique_id: bce15bb3ba37e90bf92d1622350e8bfa
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 25, "kptdensity": 12.0, "e": 1088.0, "name": "LiCuTe", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 0.97999999999999998, "time": 1232.163595199585}


unique_id: ac1c9c96ec44912d450aacafc4e8e5c2
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 21, "kptdensity": 12.0, "e": 1088.0, "name": "LiAuS", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.01, "time": 981.07332587242126}


unique_id: 5254f38784f7e245c47827f5a1ae8780
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 21, "kptdensity": 12.0, "e": 1088.0, "name": "LiMgN", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 0.97999999999999998, "time": 826.30260109901428}


unique_id: a80e1e14416461208a751555b7ec7e25
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 23, "kptdensity": 12.0, "e": 1088.0, "name": "LiCuSe", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.0, "time": 396.812175989151}


unique_id: 6fa0698c3a228b00cfb784539af5a700
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 24, "kptdensity": 12.0, "e": 1088.0, "name": "LiAlSn", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.01, "time": 1199.6428518295288}


unique_id: 3e483c6428932abcde34b05dc6b72d7c
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 16, "kptdensity": 12.0, "e": 1088.0, "name": "LiSiGa", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 0.98999999999999999, "time": 493.04335498809814}


unique_id: e694c58d581978482dfa21994fc08f87
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 29, "kptdensity": 12.0, "e": 1088.0, "name": "LiCuS", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 0.98999999999999999, "time": 1208.8455770015717}


unique_id: cf594120afad91c641226a27178b602b
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 29, "kptdensity": 12.0, "e": 1088.0, "name": "LiSnIn", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 0.97999999999999998, "time": 1034.6378810405731}


unique_id: e4c2b64140a9adf282a0bad82a40cce6
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 28, "kptdensity": 12.0, "e": 1088.0, "name": "LiCuSe", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.01, "time": 483.52511382102966}


unique_id: d6b3c6c13e0db2016224ba7a37570ceb
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 24, "kptdensity": 12.0, "e": 1088.0, "name": "LiSrP", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 0.97999999999999998, "time": 1192.1558318138123}


unique_id: 17335a0cd791df54d5a8f5e471827591
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 15, "kptdensity": 12.0, "e": 1088.0, "name": "LiSiGa", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.0, "time": 452.41519904136658}


unique_id: 217d643e1d31178ebaeca1c3e566c916
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 25, "kptdensity": 12.0, "e": 1088.0, "name": "LiMgN", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 0.98999999999999999, "time": 987.21077013015747}


unique_id: 13e4535ec8f9ddfc52282d5ed6821dca
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 24, "kptdensity": 12.0, "e": 1088.0, "name": "FeSnTi", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.01, "time": 2173.8355441093445}


unique_id: d885b33d37aa7e51afc2674b4eb610f6
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 43, "kptdensity": 12.0, "e": 1088.0, "name": "KZnBi", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.01, "time": 1743.87424492836}


unique_id: a2dd10b8dbf5038c622a9501ddabbe95
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 26, "kptdensity": 12.0, "e": 1088.0, "name": "LiCuSe", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.02, "time": 450.12297582626343}


unique_id: a15f6d3be2857dfeee0920a400c66c43
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 31, "kptdensity": 12.0, "e": 1088.0, "name": "LiCaP", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.01, "time": 1296.846253156662}


unique_id: ac1c40bd8aaa45485992cd0b16ed35a2
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 25, "kptdensity": 12.0, "e": 1088.0, "name": "LiAuS", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.02, "time": 1160.0200040340424}


unique_id: d1b0bb32a0d98bc3c13446fb824995a8
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 14, "kptdensity": 12.0, "e": 1088.0, "name": "LiSiGa", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.01, "time": 419.64697408676147}


unique_id: 31ba9d2d20fb3a230477da1ca000efa5
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 30, "kptdensity": 12.0, "e": 1088.0, "name": "LiCuTe", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 0.98999999999999999, "time": 1475.1815509796143}


unique_id: ecb59e59dd85cb60c99cdfcfbc5de8bc
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 27, "kptdensity": 12.0, "e": 1088.0, "name": "LiSnIn", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 0.98999999999999999, "time": 965.89319109916687}


unique_id: c7e754dc63966f4cf9d91193575060cf
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 28, "kptdensity": 12.0, "e": 1088.0, "name": "LiCuS", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.0, "time": 1188.9159638881683}


unique_id: b8040de270f6344c79aa86705a6d302b
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 25, "kptdensity": 12.0, "e": 1088.0, "name": "LiAlSn", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.02, "time": 1319.2260580062866}


unique_id: 51c9adf066e415f27ef8f4b5f2570f91
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 22, "kptdensity": 12.0, "e": 1088.0, "name": "LiMgN", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.0, "time": 911.32352209091187}


unique_id: 571602cc7dfc8f8cc36c9a8106f3472e
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 14, "kptdensity": 12.0, "e": 1088.0, "name": "LiSiGa", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.02, "time": 497.30493593215942}


unique_id: 632ec40304c5b7fca35e5487b30cbbf9
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 29, "kptdensity": 12.0, "e": 1088.0, "name": "LiYSn", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 0.97999999999999998, "time": 916.16537594795227}


unique_id: d6c4dd8bfc24e5c76875689146b00951
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 26, "kptdensity": 12.0, "e": 1088.0, "name": "LiSrP", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 0.98999999999999999, "time": 1307.9648869037628}


unique_id: ec2b1b05daec48fef1dd4c4ad98b766a
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "perovskite", "niter": 27, "kptdensity": 12.0, "e": 1088.0, "name": "BaZrTe3", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.01, "time": 7262.5073509216309}


unique_id: 8b75253af60d127b4b4386cf801c6566
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 35, "kptdensity": 12.0, "e": 1088.0, "name": "CuYSn", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.0, "time": 4130.5730009078979}


unique_id: 2d1e6bddd30822090d5e5a5177531256
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "perovskite", "niter": 32, "kptdensity": 12.0, "e": 1088.0, "name": "SrTiS3", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.02, "time": 7296.1076691150665}


unique_id: 75d2c134ae93617a285a2ac18e23b173
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 28, "kptdensity": 12.0, "e": 1088.0, "name": "LiCaP", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.02, "time": 1139.2233519554138}


unique_id: 81f7c9176ffb0d899830c977ca550703
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 26, "kptdensity": 12.0, "e": 1088.0, "name": "LiZnN", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 0.97999999999999998, "time": 1100.5659880638123}


unique_id: cd39d2ca54cdc1b3202d56c754522bfb
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 30, "kptdensity": 12.0, "e": 1088.0, "name": "LiSnIn", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.0, "time": 1057.6678240299225}


unique_id: a4b015213d0549e0c37977a237f15699
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 20, "kptdensity": 12.0, "e": 1088.0, "name": "LiMgN", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.01, "time": 807.98341512680054}


unique_id: ee6322f8886d217e212a1e1282b7f56b
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 21, "kptdensity": 12.0, "e": 1088.0, "name": "MgPLi", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 0.97999999999999998, "time": 1033.7006220817566}


unique_id: 5cfc1bc41c67d02c96a82829f7294373
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 27, "kptdensity": 12.0, "e": 1088.0, "name": "LiCuTe", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.0, "time": 1314.7812860012054}


unique_id: 4e4cebc5c855d01b634961f96a894df0
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 42, "kptdensity": 12.0, "e": 1088.0, "name": "KZnBi", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.02, "time": 1713.4694089889526}


unique_id: c9a48617de153297dd7ba0c8bfb88aa5
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 26, "kptdensity": 12.0, "e": 1088.0, "name": "LiYSn", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 0.98999999999999999, "time": 821.68963503837585}


unique_id: f133bc9bca4d404e5c411d05221a6054
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 30, "kptdensity": 12.0, "e": 1088.0, "name": "LiCuS", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.01, "time": 1571.2768969535828}


unique_id: 39b65dca754b891496a8c1ae69c7b016
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "perovskite", "niter": 30, "kptdensity": 12.0, "e": 1088.0, "name": "CsPbI3", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.01, "time": 5577.427402973175}


unique_id: ba3342f09ba43c6fa4b24e1fe20a1fc8
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 27, "kptdensity": 12.0, "e": 1088.0, "name": "FeSnTi", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.02, "time": 2549.4141931533813}


unique_id: 6c918bcdf9ae56b5daaf69cd99faeb31
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 26, "kptdensity": 12.0, "e": 1088.0, "name": "LiSrP", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.0, "time": 1275.2260761260986}


unique_id: 9b1ed4d46e78bc88b277b1697c5d6561
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 21, "kptdensity": 12.0, "e": 1088.0, "name": "LiMgN", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.02, "time": 835.81103086471558}


unique_id: ffcf64f6a33adcfb969e191915b3a14f
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 30, "kptdensity": 12.0, "e": 1088.0, "name": "LiSnIn", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.01, "time": 1047.218220949173}


unique_id: ec0e8dda6349446ce0b9e28b73b3576c
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 33, "kptdensity": 12.0, "e": 1088.0, "name": "LiZnN", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 0.98999999999999999, "time": 1432.1118359565735}


unique_id: a2524080ab4bd313450f96a7cef718d6
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 28, "kptdensity": 12.0, "e": 1088.0, "name": "LiYSn", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.0, "time": 888.37477588653564}


unique_id: 916a462e1f9a26895887b2e44332d9b0
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 30, "kptdensity": 12.0, "e": 1088.0, "name": "MgSbPt", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 0.97999999999999998, "time": 1197.0400569438934}


unique_id: 61553fab825781c3226948b1006cb45b
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 25, "kptdensity": 12.0, "e": 1088.0, "name": "LiCuTe", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.01, "time": 1207.0022618770599}


unique_id: d7032add6605bf83f856b6ae6793c785
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 28, "kptdensity": 12.0, "e": 1088.0, "name": "MgPLi", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 0.98999999999999999, "time": 1383.79518699646}


unique_id: c592089ce41b37603d22b29e1ef66508
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 57, "kptdensity": 12.0, "e": 1088.0, "name": "CsZnBi", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.01, "time": 6143.2654731273651}


unique_id: b8ea861bb53c104ea03a98976486ffd9
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 33, "kptdensity": 12.0, "e": 1088.0, "name": "MgSbCu", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 0.97999999999999998, "time": 2591.5275881290436}


unique_id: 358a3d0786f4b0f7bd6fad7b199e7431
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 27, "kptdensity": 12.0, "e": 1088.0, "name": "LiSnIn", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.02, "time": 939.91381096839905}


unique_id: 1f8b21cf3c4730ed43ba8925c772d59d
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 33, "kptdensity": 12.0, "e": 1088.0, "name": "MgSbNi", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 0.97999999999999998, "time": 2354.0439219474792}


unique_id: 894801ffd04f696a7f892590f6e6a277
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 29, "kptdensity": 12.0, "e": 1088.0, "name": "LiCuS", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.02, "time": 1529.7445561885834}


unique_id: c98166501e3a2edaa455d7078143e06b
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 30, "kptdensity": 12.0, "e": 1088.0, "name": "LiYSn", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.01, "time": 947.08275890350342}


unique_id: 3ec48d6a7959c47c1c44dceb7f5e4dce
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 23, "kptdensity": 12.0, "e": 1088.0, "name": "LiSrP", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.01, "time": 1154.5635859966278}


unique_id: cc65ab59e0efd3f026758f429af9368c
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 29, "kptdensity": 12.0, "e": 1088.0, "name": "LiZnN", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.0, "time": 1255.426609992981}


unique_id: 9d6e590c6276c38690210e9de5640ce3
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 29, "kptdensity": 12.0, "e": 1088.0, "name": "MgSbPd", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 0.97999999999999998, "time": 2609.4866349697113}


unique_id: d3ee40e44bde0e0bdc2fb139f5a722a6
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 32, "kptdensity": 12.0, "e": 1088.0, "name": "MgSrGe", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 0.97999999999999998, "time": 1541.9778439998627}


unique_id: af95b4c8395926e57103e3e1abb1c69d
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 24, "kptdensity": 12.0, "e": 1088.0, "name": "LiCuTe", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.02, "time": 1130.1714041233063}


unique_id: afb2f1bdad10e84ea5759adb93b3ed02
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 28, "kptdensity": 12.0, "e": 1088.0, "name": "MgSrSi", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 0.97999999999999998, "time": 634.78906011581421}


unique_id: a98418caaa48d136a308e6e7302eba54
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 33, "kptdensity": 12.0, "e": 1088.0, "name": "MgSbPt", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 0.98999999999999999, "time": 1323.6933300495148}


unique_id: 82e9c920e8f53bb74cda61c3c756cf39
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 24, "kptdensity": 12.0, "e": 1088.0, "name": "MgPLi", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.0, "time": 1140.1979699134827}


unique_id: 6ef86d00a199677c442ff4b1040fcf50
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 31, "kptdensity": 12.0, "e": 1088.0, "name": "LiYSn", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.02, "time": 980.73150014877319}


unique_id: 1c788557641941a20a18c135b8755a5b
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 26, "kptdensity": 12.0, "e": 1088.0, "name": "MgSrSi", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 0.98999999999999999, "time": 591.97812008857727}


unique_id: ac12f34844ae349ce91cd27277c3a4af
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 33, "kptdensity": 12.0, "e": 1088.0, "name": "MgSnCu", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 0.97999999999999998, "time": 2570.2046089172363}


unique_id: 4f049d8d05bd3d0821a0ef7826e3779e
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 23, "kptdensity": 12.0, "e": 1088.0, "name": "LiSrP", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.02, "time": 1144.3762519359589}


unique_id: dd37d2c8ba65f8b5f9093322e227bcb4
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 34, "kptdensity": 12.0, "e": 1088.0, "name": "CuYSn", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.01, "time": 3923.7173528671265}


unique_id: ba965bcd5f70d56eda65cdc80da288cd
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 28, "kptdensity": 12.0, "e": 1088.0, "name": "LiZnN", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.01, "time": 1218.4885320663452}


unique_id: 19dd4add5a33598a068c06cbf501dfa8
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 23, "kptdensity": 12.0, "e": 1088.0, "name": "MgPLi", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.01, "time": 1104.1988689899445}


unique_id: 3f853b2a1f997472be6c2b6ece7c8879
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 30, "kptdensity": 12.0, "e": 1088.0, "name": "MgSbPt", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.0, "time": 1210.3460741043091}


unique_id: ce1246dfeaa952fdab5f56ebefa9020b
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 27, "kptdensity": 12.0, "e": 1088.0, "name": "MgSrSi", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.0, "time": 622.25443196296692}


unique_id: a1481331ef65cb36b6fb84f0c031f207
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 28, "kptdensity": 12.0, "e": 1088.0, "name": "MgSrGe", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 0.98999999999999999, "time": 1414.6486349105835}


unique_id: 4e84c3a3cca51510d5ed1c8555049fc5
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 31, "kptdensity": 12.0, "e": 1088.0, "name": "MnPdTe", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 0.97999999999999998, "time": 954.29700016975403}


unique_id: 7060926828639b9ddf2b1328bea37440
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 31, "kptdensity": 12.0, "e": 1088.0, "name": "MgSbCu", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 0.98999999999999999, "time": 2421.3706970214844}


unique_id: cf322590da4142d2bfa1cddbc4b5ddc4
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 26, "kptdensity": 12.0, "e": 1088.0, "name": "MgSrSi", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.01, "time": 601.72297191619873}


unique_id: cd044c5222424d3e70bca039e8c9afa6
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 34, "kptdensity": 12.0, "e": 1088.0, "name": "MgSbNi", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 0.98999999999999999, "time": 2755.2524659633636}


unique_id: 46f649bbf4441927aa3e5a15945bc22c
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 37, "kptdensity": 12.0, "e": 1088.0, "name": "MgSrSn", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 0.97999999999999998, "time": 2811.6637101173401}


unique_id: 4d4f6035e12bc204dd14cdc592911e5e
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 31, "kptdensity": 12.0, "e": 1088.0, "name": "LiZnN", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.02, "time": 1331.7530810832977}


unique_id: e68319cf3dfe2df4ac061647a89df261
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 30, "kptdensity": 12.0, "e": 1088.0, "name": "MnPdTe", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 0.98999999999999999, "time": 1039.6314539909363}


unique_id: 5bd3c4b5b00de00dc322309d2e15f4ed
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 28, "kptdensity": 12.0, "e": 1088.0, "name": "MgSbPt", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.01, "time": 1167.8701889514923}


unique_id: 1c0eb5c58695c015265b6b4642724459
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 32, "kptdensity": 12.0, "e": 1088.0, "name": "MgSbPd", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 0.98999999999999999, "time": 2828.7095029354095}


unique_id: 4ca3f1f8c8b7b1bf94bafdf550aa8708
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 28, "kptdensity": 12.0, "e": 1088.0, "name": "MgPLi", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.02, "time": 1339.48268699646}


unique_id: 70652776e374268ddcf2f244527ea98f
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 27, "kptdensity": 12.0, "e": 1088.0, "name": "MgSrSi", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.02, "time": 619.58881402015686}


unique_id: bba712077275d013d49feab78ddb404d
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 30, "kptdensity": 12.0, "e": 1088.0, "name": "MgSrGe", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.0, "time": 1495.056606054306}


unique_id: ba6c1874d71d547c0959f28be45d4f63
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 35, "kptdensity": 12.0, "e": 1088.0, "name": "MgZnHf", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 0.97999999999999998, "time": 3309.47225689888}


unique_id: d2fb251b418c5308cf7032827c7c6a8f
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 32, "kptdensity": 12.0, "e": 1088.0, "name": "MgSnCu", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 0.98999999999999999, "time": 2482.8140048980713}


unique_id: d303c091b99a44542860c4a6d4fad93c
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 27, "kptdensity": 12.0, "e": 1088.0, "name": "MnPtGa", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 0.97999999999999998, "time": 2476.2819900512695}


unique_id: be5cfc5789eefcea5d55140bd6c466dc
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 29, "kptdensity": 12.0, "e": 1088.0, "name": "MnPdTe", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.0, "time": 993.30113911628723}


unique_id: adf4b4406db5604618ff71ccb2c3da8d
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 25, "kptdensity": 12.0, "e": 1088.0, "name": "MgSbPt", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.02, "time": 1034.0876159667969}


unique_id: a183fd0fce10e65d2311983ceef4e97a
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "perovskite", "niter": 29, "kptdensity": 12.0, "e": 1088.0, "name": "CsPbI3", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.02, "time": 5664.4785709381104}


unique_id: 6793582c0099f4937e609fa4bc26d439
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 32, "kptdensity": 12.0, "e": 1088.0, "name": "MgSbCu", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.0, "time": 2427.2879490852356}


unique_id: e0006ec712f9b5094c577667b2a7784e
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 33, "kptdensity": 12.0, "e": 1088.0, "name": "MnSbCo", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 0.97999999999999998, "time": 1432.0277330875397}


unique_id: da7e4a83e2106ca61131aecc2b094c97
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 28, "kptdensity": 12.0, "e": 1088.0, "name": "MgSbNi", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.0, "time": 2255.8906140327454}


unique_id: 20448fe81081142af12ce4f53dc3c4bc
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 28, "kptdensity": 12.0, "e": 1088.0, "name": "MnPdTe", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.01, "time": 950.34547019004822}


unique_id: e0e6dbe2d0f6d83664fd904d6a555108
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 30, "kptdensity": 12.0, "e": 1088.0, "name": "CuYSn", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.02, "time": 3609.2120940685272}


unique_id: 3025bba4091585f068856f5218b2e30d
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 31, "kptdensity": 12.0, "e": 1088.0, "name": "MgSrGe", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.01, "time": 1521.6856150627136}


unique_id: e99002f0e24e0c00d3bb2ac2b1af2787
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 34, "kptdensity": 12.0, "e": 1088.0, "name": "MgSrSn", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 0.98999999999999999, "time": 2484.2507021427155}


unique_id: 3a925fbab58d860f2921ab439f64ffef
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 33, "kptdensity": 12.0, "e": 1088.0, "name": "MnSbCu", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 0.97999999999999998, "time": 1141.403844833374}


unique_id: 9446836713369450ef2eeaf8f8ced99c
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "perovskite", "niter": 30, "kptdensity": 12.0, "e": 1088.0, "name": "BaZrTe3", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.02, "time": 7954.2761280536652}


unique_id: 5beaf6175759674c7d1470b7979815fe
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 29, "kptdensity": 12.0, "e": 1088.0, "name": "MnPtSb", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 0.97999999999999998, "time": 2513.0939249992371}


unique_id: bd1753a34715151f60186e876b8f27a2
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 27, "kptdensity": 12.0, "e": 1088.0, "name": "MnRhSb", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 0.97999999999999998, "time": 2300.4858930110931}


unique_id: 54b9a8065208ad2e6e26582df67a9915
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 26, "kptdensity": 12.0, "e": 1088.0, "name": "MgSbPd", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.0, "time": 2322.549507856369}


unique_id: c37ddf107179ed369e50963fbcf3e920
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 55, "kptdensity": 12.0, "e": 1088.0, "name": "CsZnBi", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.02, "time": 6125.2459330558777}


unique_id: f14ec4571d6db2845aac412f6573ab48
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 29, "kptdensity": 12.0, "e": 1088.0, "name": "MnSbCo", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 0.98999999999999999, "time": 1259.5753440856934}


unique_id: 76a67efeae8abde1791d10f5da4c50b7
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 29, "kptdensity": 12.0, "e": 1088.0, "name": "MnPdTe", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.02, "time": 990.00175786018372}


unique_id: 9f4cb173c8e9cf3aa285047581655710
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 30, "kptdensity": 12.0, "e": 1088.0, "name": "MgSnCu", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.0, "time": 2268.4477908611298}


unique_id: 5a630fe8b2730c92f7be1407f65ec12d
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 25, "kptdensity": 12.0, "e": 1088.0, "name": "MnPtGa", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 0.98999999999999999, "time": 2401.0733799934387}


unique_id: 886f6c18e9dc4e58cc396eb421a7a017
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 36, "kptdensity": 12.0, "e": 1088.0, "name": "MnSbCu", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 0.98999999999999999, "time": 1238.1204550266266}


unique_id: f10aaf87569ac5e04234dbde734e69c4
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 29, "kptdensity": 12.0, "e": 1088.0, "name": "MgSbCu", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.01, "time": 2170.0376648902893}


unique_id: 44b1400dbdf41b3787af0a2cbe55223d
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 30, "kptdensity": 12.0, "e": 1088.0, "name": "MgSrGe", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.02, "time": 1637.8837010860443}


unique_id: f0eb61d63fcac4fe8cdc8c90f47425c1
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 33, "kptdensity": 12.0, "e": 1088.0, "name": "MgZnHf", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 0.98999999999999999, "time": 3303.0151808261871}


unique_id: 4f10ae421accab13530c1a112437ea36
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 32, "kptdensity": 12.0, "e": 1088.0, "name": "MnSbIr", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 0.97999999999999998, "time": 2684.4865028858185}


unique_id: f780ac943a7fcf949d730e87c16fcd65
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 33, "kptdensity": 12.0, "e": 1088.0, "name": "MnSbRe", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 0.97999999999999998, "time": 1247.8775889873505}


unique_id: a031bac5ef63fab19942aed2bcfd08c5
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 31, "kptdensity": 12.0, "e": 1088.0, "name": "MnSbCo", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.0, "time": 1341.1052820682526}


unique_id: 6b9c3ab6d41fd8b98f20fc3b43cb014f
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 32, "kptdensity": 12.0, "e": 1088.0, "name": "MgSbNi", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.01, "time": 2576.7543430328369}


unique_id: d9ea8e53676ae5cf6c44cab83a326e93
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 28, "kptdensity": 12.0, "e": 1088.0, "name": "MnSbCu", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.0, "time": 946.82394790649414}


unique_id: 2047b3525497657376363d05ae1c8c2d
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 33, "kptdensity": 12.0, "e": 1088.0, "name": "MgSrSn", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.0, "time": 2490.2399749755859}


unique_id: 57ac82ddf6f0be1f8d33a4ad0e97ac11
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 32, "kptdensity": 12.0, "e": 1088.0, "name": "MnRhSb", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 0.98999999999999999, "time": 2671.7010970115662}


unique_id: 6787de7f19cb3f02ae64af7a382d2840
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 31, "kptdensity": 12.0, "e": 1088.0, "name": "MgSbPd", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.01, "time": 2791.3036868572235}


unique_id: 2e2b7f3e2a1f8901c61282fb84295bb7
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 29, "kptdensity": 12.0, "e": 1088.0, "name": "MnSbNi", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 0.97999999999999998, "time": 3259.9134180545807}


unique_id: bb17476b2d2311817e8b73bf4026959c
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 32, "kptdensity": 12.0, "e": 1088.0, "name": "MnPtSb", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 0.98999999999999999, "time": 3138.9783809185028}


unique_id: e7d3fce4e8b94eed473fdf704c6df5ea
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 33, "kptdensity": 12.0, "e": 1088.0, "name": "MnSbOs", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 0.97999999999999998, "time": 2763.6244740486145}


unique_id: e9f12afc60bd10720116e954c0485dda
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 27, "kptdensity": 12.0, "e": 1088.0, "name": "MnSbCo", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.01, "time": 1168.4405329227448}


unique_id: 9a997965aaf3986f1c381684320e2369
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 31, "kptdensity": 12.0, "e": 1088.0, "name": "MnSbRe", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 0.98999999999999999, "time": 1275.9965970516205}


unique_id: 8ef1444b79f7d5a243263bae4e22afe7
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 27, "kptdensity": 12.0, "e": 1088.0, "name": "MnSbPt", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 0.97999999999999998, "time": 2654.2368330955505}


unique_id: ffc58cdf466b0d8e8c74c66f99e77009
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 31, "kptdensity": 12.0, "e": 1088.0, "name": "MnSbCu", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.01, "time": 1046.7522859573364}


unique_id: c95055b8e024be0a8980757e61be3cb4
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 24, "kptdensity": 12.0, "e": 1088.0, "name": "MnPtGa", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.0, "time": 2239.8742570877075}


unique_id: bbf9ea55713ee546bb6715b57e48e027
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 34, "kptdensity": 12.0, "e": 1088.0, "name": "MgSnCu", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.01, "time": 2546.7952291965485}


unique_id: 33e15e6b4e2e03656390967ead1efd45
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 25, "kptdensity": 12.0, "e": 1088.0, "name": "MnSbCu", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.02, "time": 848.16924118995667}


unique_id: 263ceddbacddf5c75ca7aacab4bd2c05
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 36, "kptdensity": 12.0, "e": 1088.0, "name": "MgSbCu", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.02, "time": 2714.8832280635834}


unique_id: 6c333be1b00f0ee0d71d7460525cddaf
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 31, "kptdensity": 12.0, "e": 1088.0, "name": "MnSbRh", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 0.97999999999999998, "time": 2664.7105350494385}


unique_id: 9c8d382219e9347c99ee37a3f07c2f08
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 32, "kptdensity": 12.0, "e": 1088.0, "name": "MnSbRe", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.0, "time": 1323.6301610469818}


unique_id: c075a951a95c36b3bc1329e1a7343e76
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 33, "kptdensity": 12.0, "e": 1088.0, "name": "MnSbCo", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.02, "time": 1426.943717956543}


unique_id: 9b2ec65a1bb7cd6a29bd34047587a25c
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 29, "kptdensity": 12.0, "e": 1088.0, "name": "MgZnHf", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.0, "time": 2827.9685750007629}


unique_id: 968d4c907b474b580fa570f36def69a7
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 32, "kptdensity": 12.0, "e": 1088.0, "name": "MnSbIr", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 0.98999999999999999, "time": 2792.1983361244202}


unique_id: 8d25623cf684dda113696e8a245b3a57
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 31, "kptdensity": 12.0, "e": 1088.0, "name": "MgSbNi", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.02, "time": 2503.3355190753937}


unique_id: ec1a5ccb33e68661df33685d0ecd7a33
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 33, "kptdensity": 12.0, "e": 1088.0, "name": "MgSrSn", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.01, "time": 2739.1825652122498}


unique_id: 59f9620364d49ea276b1459d29f82243
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 28, "kptdensity": 12.0, "e": 1088.0, "name": "MnSbTa", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 0.97999999999999998, "time": 1324.0295388698578}


unique_id: 92877d937537448495235411a568e025
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 29, "kptdensity": 12.0, "e": 1088.0, "name": "MnRhSb", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.0, "time": 2790.9760189056396}


unique_id: 7ee9d07638dfb01267ec1103c5bd66f6
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 30, "kptdensity": 12.0, "e": 1088.0, "name": "MnSbOs", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 0.98999999999999999, "time": 2627.0995109081268}


unique_id: f141c678d28a5d815c0309b3821427a2
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 32, "kptdensity": 12.0, "e": 1088.0, "name": "MgSnCu", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.02, "time": 2356.0293171405792}


unique_id: 5051ea59c5a52c11e89045e59d997c52
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 28, "kptdensity": 12.0, "e": 1088.0, "name": "MnSbPt", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 0.98999999999999999, "time": 2717.870747089386}


unique_id: 73328327bfe06fd7d4708828c115e711
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 34, "kptdensity": 12.0, "e": 1088.0, "name": "MnSbRe", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.01, "time": 1417.130145072937}


unique_id: ee74b58de416804a5767af3896f7173f
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 37, "kptdensity": 12.0, "e": 1088.0, "name": "MnSnPt", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 0.97999999999999998, "time": 1396.3979752063751}


unique_id: 75cbfb4b9d53433ec229a2605e4caede
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 30, "kptdensity": 12.0, "e": 1088.0, "name": "MnPtGa", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.01, "time": 2844.795214176178}


unique_id: dc5b4e112bb642c82c4adbb7cf318968
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 27, "kptdensity": 12.0, "e": 1088.0, "name": "MnSbNi", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 0.98999999999999999, "time": 3063.7676658630371}


unique_id: c2fad7880f2c19d617317b75a110640c
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 20, "kptdensity": 12.0, "e": 1088.0, "name": "NaAgO", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 0.97999999999999998, "time": 1452.9996559619904}


unique_id: 328ea524ff2c98d3bd2ab6ad4f92bc2b
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 33, "kptdensity": 12.0, "e": 1088.0, "name": "MnPtSb", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.0, "time": 3196.7296409606934}


unique_id: 87c47e5fff2afd13ac480adc75602322
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 38, "kptdensity": 12.0, "e": 1088.0, "name": "MgSbPd", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.02, "time": 3427.2296500205994}


unique_id: b66ac9e9f6cb982ac46ed9b01baf6fca
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 18, "kptdensity": 12.0, "e": 1088.0, "name": "NaAlGe", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 0.97999999999999998, "time": 835.45851397514343}


unique_id: 47cf817adde9af40155b4f4ea48704d3
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 30, "kptdensity": 12.0, "e": 1088.0, "name": "MnSbRh", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 0.98999999999999999, "time": 2481.9070661067963}


unique_id: 7b2de84e2b79b368d0157ef2c6d5af2e
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 30, "kptdensity": 12.0, "e": 1088.0, "name": "MnSbTa", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 0.98999999999999999, "time": 1427.5895941257477}


unique_id: ea49b0a9d3ff0074cddfd454585915d5
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 27, "kptdensity": 12.0, "e": 1088.0, "name": "MnSbW", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 0.97999999999999998, "time": 2865.1515760421753}


unique_id: f81f30ff8d0804a7e2101f7b43efeddd
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 33, "kptdensity": 12.0, "e": 1088.0, "name": "MnSbRe", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.02, "time": 1370.8352279663086}


unique_id: 783828f031d84680befea15ba438e271
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 38, "kptdensity": 12.0, "e": 1088.0, "name": "MnSnPt", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 0.98999999999999999, "time": 1572.1318280696869}


unique_id: d925eac5e382e3e136d6fe4608e87641
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 20, "kptdensity": 12.0, "e": 1088.0, "name": "NaBGe", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 0.97999999999999998, "time": 942.97236800193787}


unique_id: 472ec2fe5a5120fb0f6e15e66f432086
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 17, "kptdensity": 12.0, "e": 1088.0, "name": "NaAlGe", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 0.98999999999999999, "time": 741.39007997512817}


unique_id: e9a55e661d944c2d70061f8406890169
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 32, "kptdensity": 12.0, "e": 1088.0, "name": "MnSbIr", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.0, "time": 3087.7712571620941}


unique_id: e10e1a0f19369a56b81446cf6a767bb0
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 20, "kptdensity": 12.0, "e": 1088.0, "name": "NaMgN", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 0.97999999999999998, "time": 400.94017601013184}


unique_id: f4a972357dfb4a72b6521f2e47ea34c9
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 25, "kptdensity": 12.0, "e": 1088.0, "name": "NaAgO", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 0.98999999999999999, "time": 1820.5819790363312}


unique_id: 7035164391b3c3a920946dcdc87d630f
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 26, "kptdensity": 12.0, "e": 1088.0, "name": "MnSbTa", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.0, "time": 1235.9223740100861}


unique_id: 6ced53da7a9c1246adf04b02d12670d7
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 32, "kptdensity": 12.0, "e": 1088.0, "name": "MgSrSn", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.02, "time": 2747.8263568878174}


unique_id: f8bfd466169b142df8b1af6b4ca7260d
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 20, "kptdensity": 12.0, "e": 1088.0, "name": "NaMgN", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 0.98999999999999999, "time": 398.17445993423462}


unique_id: ae24fe3e5c7c2f04d292ab771200d657
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 23, "kptdensity": 12.0, "e": 1088.0, "name": "MnPtGa", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.02, "time": 2192.1486718654633}


unique_id: 75fdbbb6c826ec7f51b2d84306f371bc
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 18, "kptdensity": 12.0, "e": 1088.0, "name": "NaBGe", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 0.98999999999999999, "time": 813.30920314788818}


unique_id: d4b0886d120cd56251d694f76adfc684
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 30, "kptdensity": 12.0, "e": 1088.0, "name": "MnRhSb", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.01, "time": 2903.194403886795}


unique_id: 5a1e29f674edc2952ca3dd5e53dbb412
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 18, "kptdensity": 12.0, "e": 1088.0, "name": "NaAlGe", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.0, "time": 818.90183305740356}


unique_id: 5fab5dc9a72c69ad5b97f187eca8313c
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 31, "kptdensity": 12.0, "e": 1088.0, "name": "MnSbOs", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.0, "time": 2951.1032240390778}


unique_id: e3c7ef13ed13a5139508b57c573bbd4e
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 23, "kptdensity": 12.0, "e": 1088.0, "name": "NaMgN", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.0, "time": 458.88291716575623}


unique_id: 606bd6ee9c3a9d3f71fbf59eeddae3f2
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 42, "kptdensity": 12.0, "e": 1088.0, "name": "MgZnHf", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.01, "time": 4436.4997911453247}


unique_id: 66fba0af5490ff02e33260fd18b4d495
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 35, "kptdensity": 12.0, "e": 1088.0, "name": "MnSnPt", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.0, "time": 1488.0673689842224}


unique_id: 35a255e4e580f6ab59b369dea2f4c5f6
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 20, "kptdensity": 12.0, "e": 1088.0, "name": "NaMgN", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.01, "time": 400.68011808395386}


unique_id: d34e27d445c5e4f1c00f1a4275c1bc7a
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 26, "kptdensity": 12.0, "e": 1088.0, "name": "MnSbNi", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.0, "time": 3051.0931990146637}


unique_id: dd3199233ece010c6c2dd6b6a2964373
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 33, "kptdensity": 12.0, "e": 1088.0, "name": "MnSbPt", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.0, "time": 3288.3165140151978}


unique_id: 6ff8fd0ef82e2655717bf460d8b9b17c
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 17, "kptdensity": 12.0, "e": 1088.0, "name": "NaBGe", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.0, "time": 807.55374097824097}


unique_id: b1a30343b92a1e8fd2496dbb1f65694b
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 32, "kptdensity": 12.0, "e": 1088.0, "name": "MnPtSb", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.01, "time": 3139.5602629184723}


unique_id: c5ad35fda52ef66a159cd1cdc040de09
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 28, "kptdensity": 12.0, "e": 1088.0, "name": "MnSbTa", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.01, "time": 1349.8659679889679}


unique_id: b8daccb538ec966fb01c3d16c2ac437e
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 29, "kptdensity": 12.0, "e": 1088.0, "name": "MnSbRh", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.0, "time": 2743.771378993988}


unique_id: 317d73fbc021d1b8fc8b75265cfbfaaf
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 18, "kptdensity": 12.0, "e": 1088.0, "name": "NaAlGe", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.01, "time": 845.24857306480408}


unique_id: 4837153bbcda0a52b22eb4ed1f724d79
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 26, "kptdensity": 12.0, "e": 1088.0, "name": "NaMgN", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.02, "time": 518.15663695335388}


unique_id: 11c2d9ee4f88529f479d6fabc11a7ae0
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 20, "kptdensity": 12.0, "e": 1088.0, "name": "NaYGe", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 0.97999999999999998, "time": 1353.2834501266479}


unique_id: cb4803525b705b2218b431adbc5d8405
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 23, "kptdensity": 12.0, "e": 1088.0, "name": "NaAgO", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.0, "time": 1648.8847630023956}


unique_id: 420d5549bca9e0d358c8800638e086fe
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 26, "kptdensity": 12.0, "e": 1088.0, "name": "MnSbW", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 0.98999999999999999, "time": 2658.309956073761}


unique_id: 47f2dbeb9c67ff6d258c03e5a886f0e6
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 35, "kptdensity": 12.0, "e": 1088.0, "name": "MnSnPt", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.01, "time": 1471.9795479774475}


unique_id: ecab1b005e9167d99c9c0d0a772a4271
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 17, "kptdensity": 12.0, "e": 1088.0, "name": "NaAlGe", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.02, "time": 782.37030792236328}


unique_id: 3ed1383f37ea34949f0550694f2c68fe
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 24, "kptdensity": 12.0, "e": 1088.0, "name": "NaBGe", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.01, "time": 1167.7951948642731}


unique_id: e9f27b0c4ac003f7953d667c6821abaa
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 25, "kptdensity": 12.0, "e": 1088.0, "name": "NaYSn", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 0.97999999999999998, "time": 2288.4766111373901}


unique_id: d6cd1da811224c3ae5c26f7536836426
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 25, "kptdensity": 12.0, "e": 1088.0, "name": "MnSbTa", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.02, "time": 1215.637717962265}


unique_id: 5351f65d85cdac4921b0d30a88762c7e
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 33, "kptdensity": 12.0, "e": 1088.0, "name": "MnSbIr", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.01, "time": 3250.8829398155212}


unique_id: 5b7564b9a3dc10ab8e00abb34929db47
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 29, "kptdensity": 12.0, "e": 1088.0, "name": "MnRhSb", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.02, "time": 2721.0350439548492}


unique_id: 6bb3431fd9aeed3b3a94e98b991420b7
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 48, "kptdensity": 12.0, "e": 1088.0, "name": "NaZnBi", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 0.97999999999999998, "time": 1565.7748589515686}


unique_id: 2a4a4584cbd3d751681db8545807235f
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 24, "kptdensity": 12.0, "e": 1088.0, "name": "NaAgO", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.01, "time": 1716.2736811637878}


unique_id: 3fb43c2c3ad46e200cba2f21909c38f4
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 18, "kptdensity": 12.0, "e": 1088.0, "name": "NaBGe", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.02, "time": 836.28923916816711}


unique_id: 3a82cad6be9f594b616481ed24d79737
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 25, "kptdensity": 12.0, "e": 1088.0, "name": "NaYGe", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 0.98999999999999999, "time": 1732.121603012085}


unique_id: ad3c27b81a2cce0c58ab44ba221fd0a7
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 35, "kptdensity": 12.0, "e": 1088.0, "name": "MnSnPt", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.02, "time": 1463.0997490882874}


unique_id: c6c76723fefe7074380870435dc345ce
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 27, "kptdensity": 12.0, "e": 1088.0, "name": "MnSbRh", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.01, "time": 2535.066801071167}


unique_id: 290254bf387e2e909ed0c1f214aac8f4
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 35, "kptdensity": 12.0, "e": 1088.0, "name": "MnSbOs", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.01, "time": 3464.7094578742981}


unique_id: 4c5e5b8b988f337078c5fcd1687775e6
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 38, "kptdensity": 12.0, "e": 1088.0, "name": "NaZnSb", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 0.97999999999999998, "time": 1436.5225658416748}


unique_id: cf3be6a62a18a4f959904a84ab478ec9
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 30, "kptdensity": 12.0, "e": 1088.0, "name": "MnSbPt", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.01, "time": 2980.1911749839783}


unique_id: 7815ce91fe04c4c8f39cc91745f97839
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 29, "kptdensity": 12.0, "e": 1088.0, "name": "MnPtSb", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.02, "time": 2870.0958230495453}


unique_id: 821028ea701dfe4f00f9ebd30fd162dc
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 40, "kptdensity": 12.0, "e": 1088.0, "name": "NaZnBi", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 0.98999999999999999, "time": 1301.4445581436157}


unique_id: 84f140a8c5c658a3b465918bd1859d5f
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 37, "kptdensity": 12.0, "e": 1088.0, "name": "NaZnP", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 0.97999999999999998, "time": 2056.9579920768738}


unique_id: 649d9f6144f4f229da17f1e231bdd474
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 35, "kptdensity": 12.0, "e": 1088.0, "name": "MgZnHf", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.02, "time": 3676.6696898937225}


unique_id: 26e9a5d91cb20d537ad0895ce56d155d
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 28, "kptdensity": 12.0, "e": 1088.0, "name": "MnSbW", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.0, "time": 2872.8031010627747}


unique_id: 67903bb65126b6da4db0c9a28251c028
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 28, "kptdensity": 12.0, "e": 1088.0, "name": "NbSbRh", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 0.97999999999999998, "time": 1193.8306770324707}


unique_id: f1f78de19ad6747db7c55116b80f4f5e
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 22, "kptdensity": 12.0, "e": 1088.0, "name": "NaAgO", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.02, "time": 1574.827780008316}


unique_id: cc9631ff32f5e4401194ccc32053fa2f
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 36, "kptdensity": 12.0, "e": 1088.0, "name": "MnSbNi", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.01, "time": 4124.6050379276276}


unique_id: 5ea37316b10c62ed89f45adbec7274de
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 25, "kptdensity": 12.0, "e": 1088.0, "name": "NaYGe", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.0, "time": 1685.4378681182861}


unique_id: 946c5fb30c52d19811031060c472f4f6
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 26, "kptdensity": 12.0, "e": 1088.0, "name": "NbSbFe", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 0.97999999999999998, "time": 1941.3515448570251}


unique_id: e16f8d8766745a215687f13635ad2f09
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 29, "kptdensity": 12.0, "e": 1088.0, "name": "NaYSn", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 0.98999999999999999, "time": 2817.3814210891724}


unique_id: 39fb76acd45a75f0792869ed29b40b00
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 39, "kptdensity": 12.0, "e": 1088.0, "name": "NaZnBi", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.0, "time": 1268.9060089588165}


unique_id: 49dbba742bca4a1425b9d193bcba41b7
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 33, "kptdensity": 12.0, "e": 1088.0, "name": "MnSbIr", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.02, "time": 3200.9628639221191}


unique_id: c987476fed5972647e0176a2ec63cb9d
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 46, "kptdensity": 12.0, "e": 1088.0, "name": "NaZnSb", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 0.98999999999999999, "time": 2021.8981521129608}


unique_id: 1e48fe9398b6d5daf935c4440633a273
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 27, "kptdensity": 12.0, "e": 1088.0, "name": "NbSbRh", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 0.98999999999999999, "time": 1157.7667942047119}


unique_id: 8a24cdbd890b5054f39095c83c89ea3e
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 31, "kptdensity": 12.0, "e": 1088.0, "name": "NbRhSn", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 0.97999999999999998, "time": 3257.7311840057373}


unique_id: f3c1df4b039121a93458b932e12e8a8b
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 34, "kptdensity": 12.0, "e": 1088.0, "name": "NaZnP", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 0.98999999999999999, "time": 1920.1841638088226}


unique_id: 3f70ce2bd57cc2e84a24f71531b164e5
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 21, "kptdensity": 12.0, "e": 1088.0, "name": "NaYGe", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.01, "time": 1406.0776569843292}


unique_id: d132d66ca8151facdcc09eff62724456
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 25, "kptdensity": 12.0, "e": 1088.0, "name": "NbSbRu", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 0.97999999999999998, "time": 2657.8370251655579}


unique_id: b0e67c9df5b010cfb597acd7d0e8808b
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 35, "kptdensity": 12.0, "e": 1088.0, "name": "NaZnBi", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.01, "time": 1158.5415987968445}


unique_id: 1794c2e1e6c2e8e29cccc6333e38581c
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 29, "kptdensity": 12.0, "e": 1088.0, "name": "MnSbPt", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.02, "time": 2868.2649159431458}


unique_id: aa1f1b6bac3fe0194c7bf79258f10e2a
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 32, "kptdensity": 12.0, "e": 1088.0, "name": "MnSbRh", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.02, "time": 3062.7052390575409}


unique_id: 1e616f73add670224c2003182bfa1651
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 32, "kptdensity": 12.0, "e": 1088.0, "name": "MnSbOs", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.02, "time": 3099.743143081665}


unique_id: fd32fa460d757095577d1ada7cd6d2a1
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 24, "kptdensity": 12.0, "e": 1088.0, "name": "MnSbW", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.01, "time": 2517.8106970787048}


unique_id: dd740f0b4afd9bae5a958db310569829
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 28, "kptdensity": 12.0, "e": 1088.0, "name": "NiSbMn", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 0.97999999999999998, "time": 2313.8917379379272}


unique_id: 295a2b738e853654677cfae7f7d8b0ff
username: dulak
calculator: gpaw
data: {}
calculator_parameters:
[cell repeats an earlier one in this file: 512 characters]

key_value_pairs:
  {"category": "halfheusler", "niter": 29, "kptdensity": 12.0, "e": 1088.0, "name": "NbSbRh", "linspacestr": "0.98x1.02x5", "relativistic": "scalar", "calculator_version": "0.10.0.11364", "potentials_version": 0.90000000000000002, "project": "gbrv", "width": 0.01, "constant_basis": true, "potentials": "gpaw", "x": 1.0, "time": 1244.524297952652}


