# systems

unique_id: 834c913919db7233f2e99107cf007684
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "NCCN", "basis": "tier3", "relativistic": 0.0, "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 173.14558506011963, "bsse_corrected": 0.0}


unique_id: d5e29deb40d040e766a9cda3eabdb3c4
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "CH3SiH3", "basis": "tier3", "relativistic": 0.0, "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 1057.9335799217224, "bsse_corrected": 0.0}


unique_id: 47698e9862d759a1837f81c69f12b14c
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "C2H6NH", "basis": "tier3", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 182.06930994987488, "bsse_corrected": 0.0}


unique_id: 465d8f5df95c9b807eb29212b829fdb4
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "CH3CH2NH2", "basis": "tier3", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 211.31841993331909, "bsse_corrected": 0.0}


unique_id: e866a600bc5f670b6e33a7cc57f17e4d
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "CH2NHCH2", "basis": "tier3", "relativistic": 0.0, "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 1246.7776238918304, "bsse_corrected": 0.0}


unique_id: 22bf465b390be8bf9ea1872f50f71ab9
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "H2CCO", "basis": "tier3", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 58.178081035614014, "bsse_corrected": 0.0}


unique_id: 66bc7f9586a78d016554a8d5153782de
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "CH3ONO", "basis": "tier3", "relativistic": 0.0, "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 2364.3644478321075, "bsse_corrected": 0.0}


unique_id: 3bd23ce1cda9cf925d1d624a48448ffa
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "CH2OCH2", "basis": "tier3", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 98.990201950073242, "bsse_corrected": 0.0}


unique_id: ba0b8bc9f9970fa93b11907d2572058c
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "H2CCO", "basis": "tier3", "relativistic": 0.0, "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 408.31000900268555, "bsse_corrected": 0.0}


unique_id: 2ff5177ad67b4761a5da44f068f3817f
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "CH3CHO", "basis": "tier3", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 115.07025003433228, "bsse_corrected": 0.0}


unique_id: 8d23124858ef40945df6aa6802dd8e1a
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "CH2OCH2", "basis": "tier3", "relativistic": 0.0, "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 501.56404399871826, "bsse_corrected": 0.0}


unique_id: 8ff17bcc2c7ea0048ac6bc8378be778a
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "OCHCHO", "basis": "tier3", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 92.18345308303833, "bsse_corrected": 0.0}


unique_id: 1ab12d0921b7789a898e220bcfaea25d
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "HCOOCH3", "basis": "tier3", "relativistic": 0.0, "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 2911.4390509128571, "bsse_corrected": 0.0}


unique_id: 5ae8516e4dc26cd0e57c79e75dc8aa5a
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "trans-butane", "basis": "tier3", "relativistic": 0.0, "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 6763.6781089305878, "bsse_corrected": 0.0}


unique_id: c00efc2b53473ab3e266448c536d804f
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "CH3CH2OH", "basis": "tier3", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 144.00072407722473, "bsse_corrected": 0.0}


unique_id: 7d6a6072b91d4be2841433ab077f4ced
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "OCHCHO", "basis": "tier3", "relativistic": 0.0, "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 738.54309821128845, "bsse_corrected": 0.0}


unique_id: 7b592067847697e744457cb90ce62271
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "CH3OCH3", "basis": "tier3", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 162.83044195175171, "bsse_corrected": 0.0}


unique_id: 74ad74592755a96d929851a24a745645
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "CH2SCH2", "basis": "tier3", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 123.5723180770874, "bsse_corrected": 0.0}


unique_id: 9a7e5e42c4fc1b64b10efbd08eba12e8
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "isobutane", "basis": "tier3", "relativistic": 0.0, "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 6836.2540919780731, "bsse_corrected": 0.0}


unique_id: 91f3b52707b8216aeb4bad8ec100f288
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "CH3CHO", "basis": "tier3", "relativistic": 0.0, "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 1510.1591880321503, "bsse_corrected": 0.0}


unique_id: c029d45d6da106f16aed7da2b6b8e9c5
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "C2H6SO", "basis": "tier3", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 282.93284893035889, "bsse_corrected": 0.0}


unique_id: 4550e919063650b0c081cd52a8371bf6
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "CH3CH2SH", "basis": "tier3", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 201.60502099990845, "bsse_corrected": 0.0}


unique_id: 89a5fbb542e52266b601a7ef2325e13a
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "CH2SCH2", "basis": "tier3", "relativistic": 0.0, "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 890.90808510780334, "bsse_corrected": 0.0}


unique_id: aa96dd33fa5dcc75a0182fabb1909d2f
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "CH3SCH3", "basis": "tier3", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 195.79052186012268, "bsse_corrected": 0.0}


unique_id: a7b8b85dca3b85523636ba77bdac2d6d
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "CH3CH2NH2", "basis": "tier3", "relativistic": 0.0, "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 4277.4798719882965, "bsse_corrected": 0.0}


unique_id: a94cf6a1a42a9dcf5b9eff21f9ec090d
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "H2CCHF", "basis": "tier3", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 83.740768194198608, "bsse_corrected": 0.0}


unique_id: 26d617f70761cb11d079f0a4625e7dbf
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "C2H6NH", "basis": "tier3", "relativistic": 0.0, "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 4459.0378241539001, "bsse_corrected": 0.0}


unique_id: 233a54c2c5c3a5d68660cbf9919e7348
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "CH3CH2Cl", "basis": "tier3", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 141.77897095680237, "bsse_corrected": 0.0}


unique_id: 8d7147a3d0cb7602664fb63c667e5cb1
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "CH3OCH3", "basis": "tier3", "relativistic": 0.0, "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 2460.4540948867798, "bsse_corrected": 0.0}


unique_id: 5eb2d5fda689ffccaf96782616e0c423
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "H2CCHCl", "basis": "tier3", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 99.902601003646851, "bsse_corrected": 0.0}


unique_id: 453df6c9ac7dee8487e00c27d2c41c81
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "CH3CH2OH", "basis": "tier3", "relativistic": 0.0, "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 2859.8649179935455, "bsse_corrected": 0.0}


unique_id: 4c01955c6eea61cfd74817ac75527a22
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "CH3CH2SH", "basis": "tier3", "relativistic": 0.0, "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 2366.8802778720856, "bsse_corrected": 0.0}


unique_id: abeee6b6b9529ed843d300e6fee33489
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "H2CCHCN", "basis": "tier3", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 128.52235984802246, "bsse_corrected": 0.0}


unique_id: 2bac4f90b8d6812c0cf871f988990274
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "H2CCHF", "basis": "tier3", "relativistic": 0.0, "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 974.84097790718079, "bsse_corrected": 0.0}


unique_id: 3c92e2aef6f37bd7f393031d33fa163d
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "CH3COCH3", "basis": "tier3", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 249.1396758556366, "bsse_corrected": 0.0}


unique_id: 7a437b6516c7172ce6ed9013cf7ae758
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "CH3COOH", "basis": "tier3", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 169.3770010471344, "bsse_corrected": 0.0}


unique_id: d441d8cd3583a7300565c6397bdefb0f
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "H2CCHCl", "basis": "tier3", "relativistic": 0.0, "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 1254.4631860256195, "bsse_corrected": 0.0}


unique_id: d7aac808370a2526bbc7365c950784a9
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "CH3COF", "basis": "tier3", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 136.25329518318176, "bsse_corrected": 0.0}


unique_id: e3595f30e3652c41e7b01bc89da0c694
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "CH3CH2Cl", "basis": "tier3", "relativistic": 0.0, "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 2101.4187090396881, "bsse_corrected": 0.0}


unique_id: 51c34d7e5e58603ec45d0d6741dd1f78
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "CH3COCl", "basis": "tier3", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 150.75447702407837, "bsse_corrected": 0.0}


unique_id: 26079cf93a3788c37053038fa075cb59
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "CH3SCH3", "basis": "tier3", "relativistic": 0.0, "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 3242.0028071403503, "bsse_corrected": 0.0}


unique_id: ef1a8662bf099fbc860a5a8c01f5222c
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "C3H7Cl", "basis": "tier3", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 324.25036406517029, "bsse_corrected": 0.0}


unique_id: e1879dbfb31eab9e6ea2f5a4a3460eb8
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "CH3COF", "basis": "tier3", "relativistic": 0.0, "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 1426.3056299686432, "bsse_corrected": 0.0}


unique_id: aa07c32a5afc989f1cb9b880da6abc21
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "CH3COOH", "basis": "tier3", "relativistic": 0.0, "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 2387.2335929870605, "bsse_corrected": 0.0}


unique_id: 7c9d890ad675e01f6e41835453ebc7fc
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "H2CCHCN", "basis": "tier3", "relativistic": 0.0, "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 2690.1077370643616, "bsse_corrected": 0.0}


unique_id: 6376a76dcc84e90f5e2911f54abede7f
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "C2H6CHOH", "basis": "tier3", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 333.23621511459351, "bsse_corrected": 0.0}


unique_id: aa54a82954995fcb4229375b01d70036
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "CH3CH2OCH3", "basis": "tier3", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 354.3160400390625, "bsse_corrected": 0.0}


unique_id: 17d3d53b3bc3545d2ee0b4c506a03f66
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "C3H9N", "basis": "tier3", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 385.87200617790222, "bsse_corrected": 0.0}


unique_id: eadd53b3f0d73da57e4efd55bfe45313
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "CH3COCH3", "basis": "tier3", "relativistic": 0.0, "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 2961.9343249797821, "bsse_corrected": 0.0}


unique_id: 31c8903f924337b67a0040c876ba29ab
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "C4H4O", "basis": "tier3", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 216.15643501281738, "bsse_corrected": 0.0}


unique_id: 1791b9bcf2a2fc3dbcdf0f6929380830
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "CH3COCl", "basis": "tier3", "relativistic": 0.0, "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 2401.6963219642639, "bsse_corrected": 0.0}


unique_id: f11eff7eaee25bb5d6992b5deb32e689
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "C4H4S", "basis": "tier3", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 270.41061902046204, "bsse_corrected": 0.0}


unique_id: 3c36e5d46bc9fc8e18b2a13a893153bc
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "C4H4O", "basis": "tier3", "relativistic": 0.0, "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 1947.8029570579529, "bsse_corrected": 0.0}


unique_id: 674a02294c0283e4928f8277b9dbe4ed
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "C4H4NH", "basis": "tier3", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 251.67410016059875, "bsse_corrected": 0.0}


unique_id: 4d22e62562ce4f8cff1ff2d81455abe4
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "C2H6SO", "basis": "tier3", "relativistic": 0.0, "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 8195.9903299808502, "bsse_corrected": 0.0}


unique_id: 409eb27b3b6e50660d6a3303542931af
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "C5H5N", "basis": "tier3", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 383.04625105857849, "bsse_corrected": 0.0}


unique_id: 4b9411d3626dae39275de3a032e632c0
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "C4H4S", "basis": "tier3", "relativistic": 0.0, "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 2739.1953871250153, "bsse_corrected": 0.0}


unique_id: ae3faa1e011d99cef01d035a7b4eccb5
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "H2", "basis": "tier3", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 4.1942691802978516, "bsse_corrected": 0.0}


unique_id: 63421b8e6fad6751f2e074944a3093a6
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "H2", "basis": "tier3", "relativistic": 0.0, "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 8.443134069442749, "bsse_corrected": 0.0}


unique_id: b6e08c9438d2e8516809639917c4703d
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 3104 characters]

key_value_pairs:
  {"name": "CCH", "basis": "tier3", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 49.189150094985962, "bsse_corrected": 0.0}


unique_id: 11284f3a43b71fb2fed882f3369bb93e
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 3104 characters]

key_value_pairs:
  {"name": "CCH", "basis": "tier3", "relativistic": 0.0, "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 321.55992102622986, "bsse_corrected": 0.0}


unique_id: 45269ef64d72e92c27a6b3d6ba9e569b
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 3104 characters]

key_value_pairs:
  {"name": "C2H3", "basis": "tier3", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 76.813176155090332, "bsse_corrected": 0.0}


unique_id: 209c6a3ce35eba029b71fba43dad7331
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "C4H4NH", "basis": "tier3", "relativistic": 0.0, "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 2354.8803150653839, "bsse_corrected": 0.0}


unique_id: 3e31804239c3788d69d0487c4d255973
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 3104 characters]

key_value_pairs:
  {"name": "CH3CO", "basis": "tier3", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 134.38619494438171, "bsse_corrected": 0.0}


unique_id: e6ce5f0c7736beca5107ee7804f337e8
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 3104 characters]

key_value_pairs:
  {"name": "C2H3", "basis": "tier3", "relativistic": 0.0, "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 1239.3653559684753, "bsse_corrected": 0.0}


unique_id: cf45650b20faebe8c24cf28d70566d46
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "C5H5N", "basis": "tier3", "relativistic": 0.0, "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 2671.6600170135498, "bsse_corrected": 0.0}


unique_id: 36a6e8da11a27cd2ab2f74affb771e18
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 3104 characters]

key_value_pairs:
  {"name": "H2COH", "basis": "tier3", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 78.030457019805908, "bsse_corrected": 0.0}


unique_id: 6481422ed24fd030912d655e310ef562
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 3104 characters]

key_value_pairs:
  {"name": "CH3O", "basis": "tier3", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 71.72330904006958, "bsse_corrected": 0.0}


unique_id: ebc963e7cfe7f6d685b372b64c765b80
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 3104 characters]

key_value_pairs:
  {"name": "CH3O", "basis": "tier3", "relativistic": 0.0, "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 788.22258806228638, "bsse_corrected": 0.0}


unique_id: 7b764d568ab66329f57da40de95c9e16
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "C3H7Cl", "basis": "tier3", "relativistic": 0.0, "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 7832.3290591239929, "bsse_corrected": 0.0}


unique_id: a3d0cd9952b9ac2a992e458cbfad6ae4
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 3104 characters]

key_value_pairs:
  {"name": "CH3S", "basis": "tier3", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 89.347785949707031, "bsse_corrected": 0.0}


unique_id: bf192a515d3215f0d3da09676bcca2ee
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 3104 characters]

key_value_pairs:
  {"name": "CH3CO", "basis": "tier3", "relativistic": 0.0, "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 1784.1219050884247, "bsse_corrected": 0.0}


unique_id: aa0355c0caea5bdba25c6cdd57e5ec7f
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 3104 characters]

key_value_pairs:
  {"name": "CH3CH2O", "basis": "tier3", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 248.20085597038269, "bsse_corrected": 0.0}


unique_id: f864cff551867f8cbd8763d05c5510bc
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 3104 characters]

key_value_pairs:
  {"name": "C2H5", "basis": "tier3", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 132.35208821296692, "bsse_corrected": 0.0}


unique_id: 51eca8698210aa65203a7e771248ad49
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 3104 characters]

key_value_pairs:
  {"name": "H2COH", "basis": "tier3", "relativistic": 0.0, "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 1524.4382979869843, "bsse_corrected": 0.0}


unique_id: a0ce35871948414c73c3bf59dbf094a9
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "C3H9N", "basis": "tier3", "relativistic": 0.0, "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 7422.6616468429565, "bsse_corrected": 0.0}


unique_id: faea9169c882820586c0c518a816e766
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 3104 characters]

key_value_pairs:
  {"name": "CH3S", "basis": "tier3", "relativistic": 0.0, "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 834.34659504890442, "bsse_corrected": 0.0}


unique_id: 683f513e8313c7532ee04ab8f904c368
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 3104 characters]

key_value_pairs:
  {"name": "NO2", "basis": "tier3", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 41.252497911453247, "bsse_corrected": 0.0}


unique_id: ce2890ecbefe74215298332d0cb1be2f
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 3104 characters]

key_value_pairs:
  {"name": "C3H7", "basis": "tier3", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 323.37199306488037, "bsse_corrected": 0.0}


unique_id: 36868e58f7ccba4cdbd5cb31ee498093
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 3104 characters]

key_value_pairs:
  {"name": "NO2", "basis": "tier3", "relativistic": 0.0, "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 216.75223898887634, "bsse_corrected": 0.0}


unique_id: ec85a85b15397cf4e7de607b439c50e0
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "CH3CONH2", "basis": "tier3", "relativistic": 0.0, "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 16847.610296010971, "bsse_corrected": 0.0}


unique_id: 83a23186e8cb4a9b2b9b9af4d42efdb7
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 3104 characters]

key_value_pairs:
  {"name": "C3H9C", "basis": "tier3", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 726.51881098747253, "bsse_corrected": 0.0}


unique_id: dc98d51937fbab2cb97b426c5b2e51f5
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "CH3CH2OCH3", "basis": "tier3", "relativistic": 0.0, "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 8766.3391559123993, "bsse_corrected": 0.0}


unique_id: 28e5405a5a408e9908e6f6ab4e00ff15
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 3104 characters]

key_value_pairs:
  {"name": "C2H5", "basis": "tier3", "relativistic": 0.0, "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 1812.110374212265, "bsse_corrected": 0.0}


unique_id: fe8a3d3dc75b1fdbfbbb8c9ac71896d4
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "C2H6CHOH", "basis": "tier3", "relativistic": 0.0, "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 10091.010998010635, "bsse_corrected": 0.0}


unique_id: b3e082dca43588dab26caa30812276ff
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 3104 characters]

key_value_pairs:
  {"name": "CH3CH2O", "basis": "tier3", "relativistic": 0.0, "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 9938.8812780380249, "bsse_corrected": 0.0}


unique_id: eb6f6ed99819c5f0708ec7b381aa61bc
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 3104 characters]

key_value_pairs:
  {"name": "C3H7", "basis": "tier3", "relativistic": 0.0, "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 14412.367266178131, "bsse_corrected": 0.0}


unique_id: 26021164468df97683390badd11c9ac8
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 3104 characters]

key_value_pairs:
  {"name": "C3H9C", "basis": "tier3", "relativistic": 0.0, "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 13931.222902059555, "bsse_corrected": 0.0}


unique_id: 39172b1768e632b4fd320d3d473b3b45
username: dulak
calculator: aims
data: null
calculator_parameters:
  "\"\\\"\\\\\\\"\\\\\\\\\\\\\\\"\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"{\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"charge_mix_param\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": 0.00050000000000000001, \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"sc_iter_limit\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": 19000, \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"KS_method\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"elpa\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\", \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"relativistic\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"none\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\", \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"xc\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"pbe\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\", \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"override_illconditioning\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": true, \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"species_dir\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"/home/niflheim2/dulak/projects/dcdft/aims/tier3\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\", \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"sc_accuracy_eev\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": 5.0000000000000002e-05, \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"sc_accuracy_rho\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": 5.0000000000000002e-05, \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"sc_accuracy_forces\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": 0.001, \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"occupation_type\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": [\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"gaussian\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\", 4.9999999999999998e-07], \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"spin\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"collinear\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\", \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"basis_threshold\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": 1.0000000000000001e-05, \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"override_relativity\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": true}\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"\\\\\\\\\\\\\\\"\\\\\\\"\\\"\""

key_value_pairs:
  {"name": "C", "basis": "tier3", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 13.493052005767822, "bsse_corrected": 0.0}


unique_id: 2d2d2a419927fe814c0383d99addd736
username: dulak
calculator: aims
data: null
calculator_parameters:
  "\"\\\"\\\\\\\"\\\\\\\\\\\\\\\"\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"{\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"charge_mix_param\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": 0.0001, \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"sc_iter_limit\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": 19000, \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"KS_method\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"elpa\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\", \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"relativistic\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"none\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\", \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"xc\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"pbe\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\", \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"override_illconditioning\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": true, \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"species_dir\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"/home/niflheim2/dulak/projects/dcdft/aims/tier3\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\", \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"sc_accuracy_eev\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": 5.0000000000000002e-05, \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"sc_accuracy_rho\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": 0.0001, \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"sc_accuracy_forces\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": 0.001, \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"occupation_type\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": [\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"gaussian\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\", 4.9999999999999998e-07], \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"spin\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"collinear\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\", \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"basis_threshold\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": 1.0000000000000001e-05, \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"override_relativity\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": true}\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"\\\\\\\\\\\\\\\"\\\\\\\"\\\"\""

key_value_pairs:
  {"name": "F", "basis": "tier3", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 189.82794308662415, "bsse_corrected": 0.0}


unique_id: a03d424a74ddcb2e78610c267a4b20a4
username: dulak
calculator: aims
data: null
calculator_parameters:
  "\"\\\"\\\\\\\"\\\\\\\\\\\\\\\"\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"{\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"charge_mix_param\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": 0.0001, \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"sc_iter_limit\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": 19000, \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"KS_method\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"elpa\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\", \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"relativistic\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"none\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\", \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"xc\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"pbe\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\", \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"override_illconditioning\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": true, \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"species_dir\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"/home/niflheim2/dulak/projects/dcdft/aims/tier3\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\", \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"sc_accuracy_eev\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": 5.0000000000000002e-05, \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"sc_accuracy_rho\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": 0.0001, \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"sc_accuracy_forces\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": 0.001, \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"occupation_type\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": [\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"gaussian\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\", 4.9999999999999998e-07], \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"spin\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"collinear\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\", \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"basis_threshold\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": 1.0000000000000001e-05, \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"override_relativity\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": true}\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"\\\\\\\\\\\\\\\"\\\\\\\"\\\"\""

key_value_pairs:
  {"name": "Si", "basis": "tier3", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 17.643528938293457, "bsse_corrected": 0.0}


unique_id: a69a6f68df7d290064c77753f4a3512a
username: dulak
calculator: aims
data: null
calculator_parameters:
  "\"\\\"\\\\\\\"\\\\\\\\\\\\\\\"\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"{\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"charge_mix_param\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": 0.0001, \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"sc_iter_limit\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": 19000, \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"KS_method\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"elpa\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\", \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"relativistic\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"none\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\", \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"xc\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"pbe\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\", \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"override_illconditioning\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": true, \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"species_dir\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"/home/niflheim2/dulak/projects/dcdft/aims/tier3\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\", \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"sc_accuracy_eev\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": 5.0000000000000002e-05, \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"sc_accuracy_rho\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": 0.0001, \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"sc_accuracy_forces\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": 0.001, \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"occupation_type\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": [\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"gaussian\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\", 4.9999999999999998e-07], \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"spin\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"collinear\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\", \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"basis_threshold\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": 1.0000000000000001e-05, \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"override_relativity\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": true}\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"\\\\\\\\\\\\\\\"\\\\\\\"\\\"\""

key_value_pairs:
  {"name": "S", "basis": "tier3", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 44.965930938720703, "bsse_corrected": 0.0}


unique_id: 1247e60534020444a033204d6b11d2fa
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 3105 characters]

key_value_pairs:
  {"name": "Cl", "basis": "tier3", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 56.386670827865601, "bsse_corrected": 0.0}


unique_id: fe5368a8e9476ddf3420898194a2d988
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 3105 characters]

key_value_pairs:
  {"name": "Al", "basis": "tier3", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 24.890652894973755, "bsse_corrected": 0.0}


unique_id: cbd2b7836d57386f3c3e94b09da876f6
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 3104 characters]

key_value_pairs:
  {"name": "SiH2_s3B1d", "basis": "tier3", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 9.7207798957824707, "bsse_corrected": 0.0}


unique_id: 5726dd61f3506545757fb11894776bc1
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 3104 characters]

key_value_pairs:
  {"name": "SiH2_s3B1d", "basis": "tier3", "relativistic": 0.0, "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 64.372503995895386, "bsse_corrected": 0.0}


unique_id: 7302a16dde082339579a92a15aeda306
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 3105 characters]

key_value_pairs:
  {"name": "CH", "basis": "tier3", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 20.633694887161255, "bsse_corrected": 0.0}


unique_id: 71e950436abc2d7b489bde2ce2210b44
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 3105 characters]

key_value_pairs:
  {"name": "CH", "basis": "tier3", "relativistic": 0.0, "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 123.97267699241638, "bsse_corrected": 0.0}


unique_id: 7cd35e51004fc6574e2543838409756e
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 3105 characters]

key_value_pairs:
  {"name": "ClO", "basis": "tier3", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 114.3495090007782, "bsse_corrected": 0.0}


unique_id: 8efd38a4425a46a10a1e2479c695edc6
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 3105 characters]

key_value_pairs:
  {"name": "ClO", "basis": "tier3", "relativistic": 0.0, "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 429.60234904289246, "bsse_corrected": 0.0}


unique_id: 8e48d5e997113e4b25f2b13a9f7582ec
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 3105 characters]

key_value_pairs:
  {"name": "SH", "basis": "tier3", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 225.85551905632019, "bsse_corrected": 0.0}


unique_id: c2e91323e0d3a8424814395f4253ab72
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 3105 characters]

key_value_pairs:
  {"name": "SH", "basis": "tier3", "relativistic": 0.0, "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 1099.6603798866272, "bsse_corrected": 0.0}


unique_id: b72f53743d221411ed9129682836b6ba
username: dulak
calculator: aims
data: null
calculator_parameters:
  "\"\\\"\\\\\\\"\\\\\\\\\\\\\\\"\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"{\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"charge_mix_param\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": 0.00050000000000000001, \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"sc_iter_limit\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": 19000, \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"KS_method\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"elpa\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\", \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"relativistic\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": [\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"atomic_zora\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\", \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"scalar\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"], \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"xc\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"pbe\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\", \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"override_illconditioning\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": true, \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"species_dir\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"/home/niflheim2/dulak/projects/dcdft/aims/tier3\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\", \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"sc_accuracy_eev\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": 0.001, \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"sc_accuracy_rho\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": 0.0001, \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"sc_accuracy_forces\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": 0.001, \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"occupation_type\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": [\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"gaussian\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\", 1.0000000000000001e-05], \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"spin\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"collinear\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\", \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"basis_threshold\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": 1.0000000000000001e-05, \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"override_relativity\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": true}\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"\\\\\\\\\\\\\\\"\\\\\\\"\\\"\""

key_value_pairs:
  {"name": "H", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 2.9317970275878906, "bsse_corrected": 0.0}


unique_id: 4302f132707bf36ebce1868735ce0e3c
username: dulak
calculator: aims
data: null
calculator_parameters:
  "\"\\\"\\\\\\\"\\\\\\\\\\\\\\\"\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"{\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"charge_mix_param\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": 0.00050000000000000001, \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"sc_iter_limit\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": 19000, \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"KS_method\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"elpa\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\", \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"relativistic\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": [\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"atomic_zora\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\", \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"scalar\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"], \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"xc\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"pbe\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\", \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"override_illconditioning\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": true, \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"species_dir\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"/home/niflheim2/dulak/projects/dcdft/aims/tier3\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\", \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"sc_accuracy_eev\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": 0.001, \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"sc_accuracy_rho\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": 0.0001, \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"sc_accuracy_forces\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": 0.001, \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"occupation_type\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": [\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"gaussian\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\", 1.0000000000000001e-05], \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"spin\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"collinear\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\", \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"basis_threshold\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": 1.0000000000000001e-05, \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"override_relativity\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": true}\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"\\\\\\\\\\\\\\\"\\\\\\\"\\\"\""

key_value_pairs:
  {"name": "Li", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 3.6888270378112793, "bsse_corrected": 0.0}


unique_id: c8f68376cfcf00bca78e38bfc3a7c0f0
username: dulak
calculator: aims
data: null
calculator_parameters:
  "\"\\\"\\\\\\\"\\\\\\\\\\\\\\\"\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"{\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"charge_mix_param\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": 0.00050000000000000001, \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"sc_iter_limit\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": 19000, \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"KS_method\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"elpa\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\", \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"relativistic\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": [\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"atomic_zora\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\", \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"scalar\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"], \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"xc\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"pbe\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\", \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"override_illconditioning\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": true, \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"species_dir\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"/home/niflheim2/dulak/projects/dcdft/aims/tier3\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\", \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"sc_accuracy_eev\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": 0.001, \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"sc_accuracy_rho\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": 0.0001, \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"sc_accuracy_forces\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": 0.001, \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"occupation_type\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": [\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"gaussian\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\", 1.0000000000000001e-05], \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"basis_threshold\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": 1.0000000000000001e-05, \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"override_relativity\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": true}\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"\\\\\\\\\\\\\\\"\\\\\\\"\\\"\""

key_value_pairs:
  {"name": "Be", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 3.6391899585723877, "bsse_corrected": 0.0}


unique_id: 45d6706ccfca1625f5d7b97d8868a90b
username: dulak
calculator: aims
data: null
calculator_parameters:
  "\"\\\"\\\\\\\"\\\\\\\\\\\\\\\"\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"{\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"charge_mix_param\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": 0.00050000000000000001, \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"sc_iter_limit\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": 19000, \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"KS_method\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"elpa\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\", \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"relativistic\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": [\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"atomic_zora\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\", \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"scalar\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"], \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"xc\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"pbe\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\", \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"override_illconditioning\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": true, \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"species_dir\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"/home/niflheim2/dulak/projects/dcdft/aims/tier3\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\", \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"sc_accuracy_eev\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": 5.0000000000000002e-05, \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"sc_accuracy_rho\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": 5.0000000000000002e-05, \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"sc_accuracy_forces\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": 0.001, \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"occupation_type\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": [\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"gaussian\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\", 1.0000000000000001e-05], \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"spin\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"collinear\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\", \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"basis_threshold\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": 1.0000000000000001e-05, \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"override_relativity\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": true}\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"\\\\\\\\\\\\\\\"\\\\\\\"\\\"\""

key_value_pairs:
  {"name": "N", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 3.882378101348877, "bsse_corrected": 0.0}


unique_id: 740336450aa944253029e9a0c29d132d
username: dulak
calculator: aims
data: null
calculator_parameters:
  "\"\\\"\\\\\\\"\\\\\\\\\\\\\\\"\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"{\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"charge_mix_param\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": 0.00050000000000000001, \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"sc_iter_limit\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": 19000, \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"KS_method\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"elpa\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\", \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"relativistic\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": [\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"atomic_zora\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\", \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"scalar\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"], \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"xc\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"pbe\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\", \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"override_illconditioning\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": true, \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"species_dir\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"/home/niflheim2/dulak/projects/dcdft/aims/tier3\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\", \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"sc_accuracy_eev\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": 0.001, \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"sc_accuracy_rho\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": 0.0001, \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"sc_accuracy_forces\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": 0.001, \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"occupation_type\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": [\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"gaussian\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\", 1.0000000000000001e-05], \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"spin\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"collinear\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\", \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"basis_threshold\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": 1.0000000000000001e-05, \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"override_relativity\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": true}\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"\\\\\\\\\\\\\\\"\\\\\\\"\\\"\""

key_value_pairs:
  {"name": "Na", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 3.4443879127502441, "bsse_corrected": 0.0}


unique_id: de10611f07c79f1f1dc9914c8a0eeec8
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 3249 characters]

key_value_pairs:
  {"name": "P", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 4.472491979598999, "bsse_corrected": 0.0}


unique_id: 39abb491ed25c23c37e1450fbf21a19f
username: dulak
calculator: aims
data: null
calculator_parameters:
  "\"\\\"\\\\\\\"\\\\\\\\\\\\\\\"\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"{\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"charge_mix_param\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": 0.00050000000000000001, \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"sc_iter_limit\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": 19000, \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"KS_method\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"elpa\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\", \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"relativistic\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": [\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"atomic_zora\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\", \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"scalar\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"], \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"xc\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"pbe\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\", \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"override_illconditioning\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": true, \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"species_dir\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"/home/niflheim2/dulak/projects/dcdft/aims/tier3\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\", \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"sc_accuracy_eev\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": 0.001, \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"sc_accuracy_rho\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": 0.0001, \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"sc_accuracy_forces\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": 0.001, \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"occupation_type\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": [\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"gaussian\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\", 1.0000000000000001e-05], \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"basis_threshold\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": 1.0000000000000001e-05, \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"override_relativity\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": true}\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"\\\\\\\\\\\\\\\"\\\\\\\"\\\"\""

key_value_pairs:
  {"name": "LiH", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 6.2848379611968994, "bsse_corrected": 0.0}


unique_id: 9f5c94474ac668bd4010aa68541b8a8e
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 3249 characters]

key_value_pairs:
  {"name": "B", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 28.512020826339722, "bsse_corrected": 0.0}


unique_id: ef8e1b10dee1c93ca7356039929344a2
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 3249 characters]

key_value_pairs:
  {"name": "BeH", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 10.067146062850952, "bsse_corrected": 0.0}


unique_id: 300eb281907541dea24455c33ec95e7e
username: dulak
calculator: aims
data: null
calculator_parameters:
  "\"\\\"\\\\\\\"\\\\\\\\\\\\\\\"\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"{\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"charge_mix_param\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": 0.00050000000000000001, \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"sc_iter_limit\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": 19000, \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"KS_method\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"elpa\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\", \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"relativistic\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": [\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"atomic_zora\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\", \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"scalar\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"], \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"xc\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"pbe\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\", \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"override_illconditioning\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": true, \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"species_dir\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"/home/niflheim2/dulak/projects/dcdft/aims/tier3\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\", \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"sc_accuracy_eev\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": 0.001, \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"sc_accuracy_rho\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": 0.0001, \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"sc_accuracy_forces\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": 0.001, \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"occupation_type\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": [\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"gaussian\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\", 1.0000000000000001e-05], \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"basis_threshold\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": 1.0000000000000001e-05, \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"override_relativity\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": true}\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"\\\\\\\\\\\\\\\"\\\\\\\"\\\"\""

key_value_pairs:
  {"name": "LiH", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 18.780812978744507, "bsse_corrected": 0.0}


unique_id: 794dc714a2b2d0f68b7647a89fcaffb0
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 3249 characters]

key_value_pairs:
  {"name": "BeH", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 19.75937819480896, "bsse_corrected": 0.0}


unique_id: 2c27bb3bf71fa681b7d6c24dfc1d6bf1
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 3249 characters]

key_value_pairs:
  {"name": "CH2_s3B1d", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 20.100629806518555, "bsse_corrected": 0.0}


unique_id: 21954090b13d2d4cbe12f7d773bcc83f
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2976 characters]

key_value_pairs:
  {"name": "CH2_s1A1d", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 13.702207088470459, "bsse_corrected": 0.0}


unique_id: 626ef1a4f2998efe78ce9e569fb5c40e
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2976 characters]

key_value_pairs:
  {"name": "CH2_s1A1d", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 61.244035005569458, "bsse_corrected": 0.0}


unique_id: 3b6314f2c67915f20d17da2644809bb3
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 3249 characters]

key_value_pairs:
  {"name": "CH3", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 34.504290103912354, "bsse_corrected": 0.0}


unique_id: 9f012ccea8b56ed5fdd4eda14f5d1132
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2976 characters]

key_value_pairs:
  {"name": "CH4", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 29.097530126571655, "bsse_corrected": 0.0}


unique_id: 24e030fb315c19623d23313811f71387
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 3249 characters]

key_value_pairs:
  {"name": "CH2_s3B1d", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 123.26007390022278, "bsse_corrected": 0.0}


unique_id: 7270ac8ae769592a4926fad51b4174f3
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 3249 characters]

key_value_pairs:
  {"name": "NH", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 11.59658408164978, "bsse_corrected": 0.0}


unique_id: 2b93f659cab4d543314a6f459b27e412
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 3249 characters]

key_value_pairs:
  {"name": "CH3", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 68.113318920135498, "bsse_corrected": 0.0}


unique_id: f95de6c91c46c45664256a9d482685ab
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2976 characters]

key_value_pairs:
  {"name": "CH4", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 54.527780055999756, "bsse_corrected": 0.0}


unique_id: 5247f9d11b18264b6cb3a9c0c84d8dcb
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 3249 characters]

key_value_pairs:
  {"name": "NH", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 22.67271900177002, "bsse_corrected": 0.0}


unique_id: f281cb9a745df922c8fa7a6adeceb66a
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 3249 characters]

key_value_pairs:
  {"name": "NH2", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 20.611616134643555, "bsse_corrected": 0.0}


unique_id: 51b03bf1c45f837f88f385196cfb0d20
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2976 characters]

key_value_pairs:
  {"name": "NH3", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 22.045269966125488, "bsse_corrected": 0.0}


unique_id: d90681cd149b5937f54392ccd39b0106
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 3249 characters]

key_value_pairs:
  {"name": "OH", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 22.600701093673706, "bsse_corrected": 0.0}


unique_id: c7a02f9d3bbdf69fefcffa561520a6b9
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2976 characters]

key_value_pairs:
  {"name": "NH3", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 89.574082851409912, "bsse_corrected": 0.0}


unique_id: b6c2a379a8bd91a8e4dbc9d66e166806
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 3249 characters]

key_value_pairs:
  {"name": "NH2", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 104.58303999900818, "bsse_corrected": 0.0}


unique_id: 16c8f995d1934fffc5fdcd481daa8f13
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2976 characters]

key_value_pairs:
  {"name": "H2O", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 12.606329202651978, "bsse_corrected": 0.0}


unique_id: ffdce17ad4e7342928766b1149024d23
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2976 characters]

key_value_pairs:
  {"name": "HF", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 8.5610709190368652, "bsse_corrected": 0.0}


unique_id: 546fd0113d861a4e307f4393d806840c
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2976 characters]

key_value_pairs:
  {"name": "HF", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 16.669031143188477, "bsse_corrected": 0.0}


unique_id: 94f74080736a1f7068701a988aa9b013
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2976 characters]

key_value_pairs:
  {"name": "SiH2_s1A1d", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 15.904897928237915, "bsse_corrected": 0.0}


unique_id: 2a77eff03c53a9823c8b5e6a99e41b50
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2976 characters]

key_value_pairs:
  {"name": "H2O", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 37.222872018814087, "bsse_corrected": 0.0}


unique_id: d07d79c4dd062a49d6af078366601a40
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 3249 characters]

key_value_pairs:
  {"name": "OH", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 135.91543388366699, "bsse_corrected": 0.0}


unique_id: 64588dc9b756adcecc99769dc14e6ef0
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 3249 characters]

key_value_pairs:
  {"name": "SiH3", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 37.238726139068604, "bsse_corrected": 0.0}


unique_id: 8fa232c08dfa14dce54ad57397f11091
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2976 characters]

key_value_pairs:
  {"name": "SiH2_s1A1d", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 95.142493009567261, "bsse_corrected": 0.0}


unique_id: c3bf9f7b07ed3a8d1f58a9759706eef5
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2976 characters]

key_value_pairs:
  {"name": "SiH4", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 33.194498062133789, "bsse_corrected": 0.0}


unique_id: 27f97e6ec3db01ad0468b5080bd0c880
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2976 characters]

key_value_pairs:
  {"name": "SiH4", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 66.490978002548218, "bsse_corrected": 0.0}


unique_id: 634549c227007ed79734c4c3637f63c2
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 3249 characters]

key_value_pairs:
  {"name": "PH2", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 26.789232015609741, "bsse_corrected": 0.0}


unique_id: d7188d98df605757ca183d44e5ab163c
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 3249 characters]

key_value_pairs:
  {"name": "SiH3", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 230.85741901397705, "bsse_corrected": 0.0}


unique_id: 44d791e28556afa4c91b9e3097c068ee
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2976 characters]

key_value_pairs:
  {"name": "SH2", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 17.322858095169067, "bsse_corrected": 0.0}


unique_id: 1f380c974c344c000f28e870ae1c07b3
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2976 characters]

key_value_pairs:
  {"name": "PH3", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 23.797417163848877, "bsse_corrected": 0.0}


unique_id: ecf1fa2fff4ed823c7288265d7de1715
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 3249 characters]

key_value_pairs:
  {"name": "PH2", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 159.36247801780701, "bsse_corrected": 0.0}


unique_id: a38ae5eb5009177043cdf5ca4e5d50fb
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2976 characters]

key_value_pairs:
  {"name": "HCl", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 9.8631877899169922, "bsse_corrected": 0.0}


unique_id: 80c1ac77664ea4416322330582553676
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2976 characters]

key_value_pairs:
  {"name": "SH2", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 103.74790406227112, "bsse_corrected": 0.0}


unique_id: b68ba605f8ad7ece94de87b5fb9a50ba
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2976 characters]

key_value_pairs:
  {"name": "Li2", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 5.84710693359375, "bsse_corrected": 0.0}


unique_id: fabe88635c90754334137244d757f497
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2976 characters]

key_value_pairs:
  {"name": "Li2", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 11.707924127578735, "bsse_corrected": 0.0}


unique_id: 2497103c6bd40de314744506d8539a7a
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2976 characters]

key_value_pairs:
  {"name": "HCl", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 19.929699897766113, "bsse_corrected": 0.0}


unique_id: e893438db2de895b84107395b2e696c5
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2976 characters]

key_value_pairs:
  {"name": "LiF", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 10.209896087646484, "bsse_corrected": 0.0}


unique_id: d9c1c1c25db792750fa734d89a6acbc0
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2976 characters]

key_value_pairs:
  {"name": "C2H2", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 24.497572183609009, "bsse_corrected": 0.0}


unique_id: f66575103bfcc62897b3449061f53711
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2976 characters]

key_value_pairs:
  {"name": "LiF", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 20.492197036743164, "bsse_corrected": 0.0}


unique_id: 9fa8e536aac02c454caa3d135eefa202
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2976 characters]

key_value_pairs:
  {"name": "PH3", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 153.73583197593689, "bsse_corrected": 0.0}


unique_id: 4b2e6e2549860a7121348a911b3b8a15
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2976 characters]

key_value_pairs:
  {"name": "C2H4", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 51.08871603012085, "bsse_corrected": 0.0}


unique_id: 3dbe8df1a42aaeb48b2c0570d8700260
username: dulak
calculator: aims
data: null
calculator_parameters:
  "\"\\\"\\\\\\\"\\\\\\\\\\\\\\\"\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"{\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"charge_mix_param\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": 0.00050000000000000001, \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"sc_iter_limit\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": 19000, \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"KS_method\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"elpa\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\", \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"relativistic\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": [\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"atomic_zora\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\", \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"scalar\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"], \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"xc\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"pbe\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\", \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"override_illconditioning\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": true, \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"species_dir\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"/home/niflheim2/dulak/projects/dcdft/aims/tier3\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\", \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"sc_accuracy_eev\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": 5.0000000000000002e-05, \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"sc_accuracy_rho\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": 5.0000000000000002e-05, \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"sc_accuracy_forces\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": 0.001, \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"occupation_type\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": [\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"gaussian\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\", 1.0000000000000001e-05], \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"spin\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"collinear\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\", \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"basis_threshold\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": 1.0000000000000001e-05, \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"override_relativity\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": true}\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"\\\\\\\\\\\\\\\"\\\\\\\"\\\"\""

key_value_pairs:
  {"name": "O", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 920.79404878616333, "bsse_corrected": 0.0}


unique_id: 695d1c793928c3cdec6e65421cccc649
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2976 characters]

key_value_pairs:
  {"name": "C2H6", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 93.062394857406616, "bsse_corrected": 0.0}


unique_id: b25b4c47c94b8b78ca931529aee5c81c
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 3249 characters]

key_value_pairs:
  {"name": "CN", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 21.804166078567505, "bsse_corrected": 0.0}


unique_id: af6196d43af7836410d24ccbb3380156
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2976 characters]

key_value_pairs:
  {"name": "C2H2", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 140.22410821914673, "bsse_corrected": 0.0}


unique_id: 597025f25b6dee77561da157584cbc19
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2976 characters]

key_value_pairs:
  {"name": "HCN", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 18.199604034423828, "bsse_corrected": 0.0}


unique_id: 83f8b2a5d2b75f586ab2560364e4f4d7
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 3249 characters]

key_value_pairs:
  {"name": "CN", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 76.153193950653076, "bsse_corrected": 0.0}


unique_id: 4e7c067cda691517362fc0420b534242
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2976 characters]

key_value_pairs:
  {"name": "CO", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 9.7892501354217529, "bsse_corrected": 0.0}


unique_id: efbd49fb49b240e1361a447bbb073c6c
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2976 characters]

key_value_pairs:
  {"name": "CO", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 43.629790067672729, "bsse_corrected": 0.0}


unique_id: 59aee273db5fe3ada9e0ab845695a973
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2976 characters]

key_value_pairs:
  {"name": "HCN", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 101.67015790939331, "bsse_corrected": 0.0}


unique_id: f8bf4622065f8212920df8d670b03fa9
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 3249 characters]

key_value_pairs:
  {"name": "HCO", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 33.41922402381897, "bsse_corrected": 0.0}


unique_id: 2a40085441f333402f5367f6e4de40a1
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2976 characters]

key_value_pairs:
  {"name": "H2CO", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 31.121168851852417, "bsse_corrected": 0.0}


unique_id: 82893f3e2cca0ad0149552aabf5014d9
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2976 characters]

key_value_pairs:
  {"name": "C2H4", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 259.44002890586853, "bsse_corrected": 0.0}


unique_id: 256932ec92b0d9b83e389c38ebf17d3d
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2976 characters]

key_value_pairs:
  {"name": "CH3OH", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 64.746488094329834, "bsse_corrected": 0.0}


unique_id: 10094a81189b36c5b83f75eac269b58c
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2976 characters]

key_value_pairs:
  {"name": "N2", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 8.7257571220397949, "bsse_corrected": 0.0}


unique_id: e1d50cf6cafcbe4fa9e8e42382f9e5eb
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2976 characters]

key_value_pairs:
  {"name": "N2", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 35.099385023117065, "bsse_corrected": 0.0}


unique_id: 80aff3f73001e8d8e526ffbd711e8644
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2976 characters]

key_value_pairs:
  {"name": "N2H4", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 56.506439924240112, "bsse_corrected": 0.0}


unique_id: c79d79dd831a48cb59b05a2aa2bf7915
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2976 characters]

key_value_pairs:
  {"name": "H2CO", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 219.33422303199768, "bsse_corrected": 0.0}


unique_id: f7747d3773e67c9769aeeaa826127bcb
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 3249 characters]

key_value_pairs:
  {"name": "NO", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 42.070062160491943, "bsse_corrected": 0.0}


unique_id: 14a48029dba2ae11a606336530c4040e
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 3249 characters]

key_value_pairs:
  {"name": "HCO", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 294.92880296707153, "bsse_corrected": 0.0}


unique_id: 819481f7511e7d7b480e0d1e42924fe0
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 3249 characters]

key_value_pairs:
  {"name": "O2", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 14.224673986434937, "bsse_corrected": 0.0}


unique_id: 41133741c394052753d54d7f6d746f75
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 3249 characters]

key_value_pairs:
  {"name": "O2", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 56.491666078567505, "bsse_corrected": 0.0}


unique_id: 50695dd6fb4c26ec8d0fa9fe130ad916
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2976 characters]

key_value_pairs:
  {"name": "H2O2", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 29.470340013504028, "bsse_corrected": 0.0}


unique_id: dd63e940c1a69f76fd05aa6a66775ef1
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 3249 characters]

key_value_pairs:
  {"name": "NO", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 194.1448769569397, "bsse_corrected": 0.0}


unique_id: 2d31ea8883e6b4556a1602f607049a55
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2976 characters]

key_value_pairs:
  {"name": "F2", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 10.236725091934204, "bsse_corrected": 0.0}


unique_id: 78b2f6566a8c8b0adac33c8e10159c3d
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2976 characters]

key_value_pairs:
  {"name": "F2", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 20.646646022796631, "bsse_corrected": 0.0}


unique_id: 26e750b4a64bf94439fa6af39a6e1d3e
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2976 characters]

key_value_pairs:
  {"name": "CO2", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 23.498838901519775, "bsse_corrected": 0.0}


unique_id: ca089582e0da61e95e4a2186aa1dd287
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2976 characters]

key_value_pairs:
  {"name": "C2H6", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 759.26048493385315, "bsse_corrected": 0.0}


unique_id: c7e38a8965496194b921118b5a08454f
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2976 characters]

key_value_pairs:
  {"name": "CO2", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 70.257907152175903, "bsse_corrected": 0.0}


unique_id: 85a5d789f21c701dbce86c4b68e1931f
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2976 characters]

key_value_pairs:
  {"name": "Na2", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 10.817638874053955, "bsse_corrected": 0.0}


unique_id: 24da81d65f2128dbf999c58529411f1f
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 3249 characters]

key_value_pairs:
  {"name": "Si2", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 23.421329975128174, "bsse_corrected": 0.0}


unique_id: 1ccb709a44a4f1f8623c01bd69f6f985
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2976 characters]

key_value_pairs:
  {"name": "Na2", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 31.803695201873779, "bsse_corrected": 0.0}


unique_id: a89da8dab38466bdf4be4ba116072077
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2976 characters]

key_value_pairs:
  {"name": "P2", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 13.120002031326294, "bsse_corrected": 0.0}


unique_id: 27fec2099f2d5aea0c9deb78d6408c29
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2976 characters]

key_value_pairs:
  {"name": "P2", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 39.680654048919678, "bsse_corrected": 0.0}


unique_id: 492b52b27a04e8bea7cb396bf8c9dce2
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 3249 characters]

key_value_pairs:
  {"name": "Si2", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 72.243750810623169, "bsse_corrected": 0.0}


unique_id: 4a4b61955419c8631369cd876a0d1b66
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2976 characters]

key_value_pairs:
  {"name": "H2O2", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 304.23298501968384, "bsse_corrected": 0.0}


unique_id: ed9f66c64bafa01cff3ead4669cce1e1
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2976 characters]

key_value_pairs:
  {"name": "CH3OH", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 651.36132502555847, "bsse_corrected": 0.0}


unique_id: 59a64794884a529ca5ce119602bd93bf
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2976 characters]

key_value_pairs:
  {"name": "Cl2", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 16.227835893630981, "bsse_corrected": 0.0}


unique_id: 14999123b44f2c56f6c345a261350faa
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 3249 characters]

key_value_pairs:
  {"name": "S2", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 23.417314052581787, "bsse_corrected": 0.0}


unique_id: fec4ac21f753a8152a010638494f03f8
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2976 characters]

key_value_pairs:
  {"name": "SiO", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 12.642167091369629, "bsse_corrected": 0.0}


unique_id: 456837e0c42e81019c9ab7c3b6842620
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2976 characters]

key_value_pairs:
  {"name": "NaCl", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 15.938163042068481, "bsse_corrected": 0.0}


unique_id: 8f45b9d16b80266a2322d8bc37f6acde
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2976 characters]

key_value_pairs:
  {"name": "Cl2", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 30.997890949249268, "bsse_corrected": 0.0}


unique_id: 4e42c05abfda79ba1c27b52eafd0c463
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2976 characters]

key_value_pairs:
  {"name": "NaCl", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 33.602127075195312, "bsse_corrected": 0.0}


unique_id: 51b6b634d0bb5d64c2ed25f007ee94e4
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2976 characters]

key_value_pairs:
  {"name": "CS", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 14.033936977386475, "bsse_corrected": 0.0}


unique_id: 33c9c4698dcc9672c92c34b499f04ff6
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2976 characters]

key_value_pairs:
  {"name": "N2H4", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 612.07860708236694, "bsse_corrected": 0.0}


unique_id: 1a2395b7f90614ecaf27310370919300
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 3249 characters]

key_value_pairs:
  {"name": "S2", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 46.207967042922974, "bsse_corrected": 0.0}


unique_id: 6171a2e9fcff9bc3321b872b48871fd7
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2976 characters]

key_value_pairs:
  {"name": "SiO", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 39.82044506072998, "bsse_corrected": 0.0}


unique_id: af6bda2e8e27d74ffb907ee7c8401ce1
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2976 characters]

key_value_pairs:
  {"name": "ClF", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 18.752213001251221, "bsse_corrected": 0.0}


unique_id: f8bfe960b3d2dd74b758d81fe2b94323
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 3249 characters]

key_value_pairs:
  {"name": "SO", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 26.253592014312744, "bsse_corrected": 0.0}


unique_id: 19ea4a3f68cec0474e796ec95e5dc4e9
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2976 characters]

key_value_pairs:
  {"name": "CS", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 28.708433151245117, "bsse_corrected": 0.0}


unique_id: b4745d9bc1e781f24d315317b41891f5
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2976 characters]

key_value_pairs:
  {"name": "ClF", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 29.976644992828369, "bsse_corrected": 0.0}


unique_id: 9883f205b47d2dcd23c9c426c685018d
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2976 characters]

key_value_pairs:
  {"name": "CH3Cl", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 49.794346809387207, "bsse_corrected": 0.0}


unique_id: f2aa08f2ec04319a9e5f5e4ff8e4ebf8
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2976 characters]

key_value_pairs:
  {"name": "Si2H6", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 112.74286198616028, "bsse_corrected": 0.0}


unique_id: 4947e326d5623cfb11f6055552e41900
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2976 characters]

key_value_pairs:
  {"name": "CH3SH", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 77.825163841247559, "bsse_corrected": 0.0}


unique_id: 84fc6f594087a8cf9abc76db1d3d5cbb
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 3249 characters]

key_value_pairs:
  {"name": "SO", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 139.77995204925537, "bsse_corrected": 0.0}


unique_id: 1da4ab85eda948dcad5a275ee2caa196
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2976 characters]

key_value_pairs:
  {"name": "HOCl", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 26.517058849334717, "bsse_corrected": 0.0}


unique_id: 648afa07da77b2ad6770021d4d577a43
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2976 characters]

key_value_pairs:
  {"name": "HOCl", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 144.02705883979797, "bsse_corrected": 0.0}


unique_id: 6f7de2a4a13f9bc4685b35be48ba6ba9
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2976 characters]

key_value_pairs:
  {"name": "SO2", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 31.406332969665527, "bsse_corrected": 0.0}


unique_id: 695262035d72d0f0b5eac9f813da6bf9
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2976 characters]

key_value_pairs:
  {"name": "CH3Cl", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 370.85646414756775, "bsse_corrected": 0.0}


unique_id: 79a797a99c4f4a773c75571ca7021cdf
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2976 characters]

key_value_pairs:
  {"name": "BF3", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 47.66584587097168, "bsse_corrected": 0.0}


unique_id: e53edc21826e6061d0f8ea83f98118d4
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2976 characters]

key_value_pairs:
  {"name": "SO2", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 186.19018602371216, "bsse_corrected": 0.0}


unique_id: e1fcfec8e21694dd6cab993745352223
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2976 characters]

key_value_pairs:
  {"name": "BF3", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 95.940299987792969, "bsse_corrected": 0.0}


unique_id: fc7c4fcf1a873e90b468dcdaa91f7ac8
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2976 characters]

key_value_pairs:
  {"name": "BCl3", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 74.329230070114136, "bsse_corrected": 0.0}


unique_id: 4e8ef3dd7ce14b555893f51a20ed8fa1
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2976 characters]

key_value_pairs:
  {"name": "AlF3", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 46.70612096786499, "bsse_corrected": 0.0}


unique_id: 1292aa359accf0d9ed74ee9dd8763f52
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2976 characters]

key_value_pairs:
  {"name": "AlF3", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 58.59851598739624, "bsse_corrected": 0.0}


unique_id: e7c5acb737c2e0f1a5cb8cdaeb1d9351
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2976 characters]

key_value_pairs:
  {"name": "AlCl3", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 84.092365026473999, "bsse_corrected": 0.0}


unique_id: e81f2cbe6ea26dc88d72a57e33c1ce3b
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2976 characters]

key_value_pairs:
  {"name": "BCl3", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 224.30991101264954, "bsse_corrected": 0.0}


unique_id: e3af2b99dd79a2681f58310d46352192
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2976 characters]

key_value_pairs:
  {"name": "CF4", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 88.23823881149292, "bsse_corrected": 0.0}


unique_id: fb8ea79745a8f2219f9a2224feddc688
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2976 characters]

key_value_pairs:
  {"name": "AlCl3", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 229.59989500045776, "bsse_corrected": 0.0}


unique_id: 76ee7fc3df3341674b80e848fdd04fc2
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2976 characters]

key_value_pairs:
  {"name": "CF4", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 174.03703880310059, "bsse_corrected": 0.0}


unique_id: 53b8824fd0307684f99793e806f9baa9
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2976 characters]

key_value_pairs:
  {"name": "OCS", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 31.988234043121338, "bsse_corrected": 0.0}


unique_id: 8530056ee03228546f7f04069918d940
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2976 characters]

key_value_pairs:
  {"name": "CH3SH", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 1023.2497839927673, "bsse_corrected": 0.0}


unique_id: 7fb2af77f3b94298e1cb85515ea3e60f
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2976 characters]

key_value_pairs:
  {"name": "CCl4", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 142.39079213142395, "bsse_corrected": 0.0}


unique_id: 8fe4c0330f3e56283a689b445ccace50
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2976 characters]

key_value_pairs:
  {"name": "CS2", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 35.596055030822754, "bsse_corrected": 0.0}


unique_id: 4b797f8eba53f1990d19f583de54d2fd
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2976 characters]

key_value_pairs:
  {"name": "CS2", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 34.637800931930542, "bsse_corrected": 0.0}


unique_id: 1fe599ad7452046714b63e8f4cb7ab96
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2976 characters]

key_value_pairs:
  {"name": "Si2H6", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 1132.4554522037506, "bsse_corrected": 0.0}


unique_id: 49f7cdf05d0c280019bf30e1c66e223a
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2976 characters]

key_value_pairs:
  {"name": "OCS", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 130.22936391830444, "bsse_corrected": 0.0}


unique_id: 212c5df9442c0be207b0103ffa1f9422
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2976 characters]

key_value_pairs:
  {"name": "COF2", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 54.344115018844604, "bsse_corrected": 0.0}


unique_id: a93c2192eba5d45cfaf69766eda8432f
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2976 characters]

key_value_pairs:
  {"name": "SiF4", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 97.440788984298706, "bsse_corrected": 0.0}


unique_id: 9a8a45d961bba85a277987b5faca7cad
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2976 characters]

key_value_pairs:
  {"name": "SiCl4", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 149.93728613853455, "bsse_corrected": 0.0}


unique_id: 63369861ddaef7e73536fcb376a8a3cd
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2976 characters]

key_value_pairs:
  {"name": "N2O", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 26.86262583732605, "bsse_corrected": 0.0}


unique_id: 26ad0c8e7b08fe41c633263f4df8979a
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2976 characters]

key_value_pairs:
  {"name": "SiF4", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 191.36142802238464, "bsse_corrected": 0.0}


unique_id: 1dd33fa58bff683168a0ef23fd839306
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2976 characters]

key_value_pairs:
  {"name": "COF2", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 270.30136680603027, "bsse_corrected": 0.0}


unique_id: e48c251b44f4e8dac547896712ef89df
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2976 characters]

key_value_pairs:
  {"name": "ClNO", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 37.301002979278564, "bsse_corrected": 0.0}


unique_id: 6f1c7949a9e6c510e3c218c86f658878
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2976 characters]

key_value_pairs:
  {"name": "CCl4", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 423.63360095024109, "bsse_corrected": 0.0}


unique_id: b83d1abcafe04f5b9a817be1dc0fe7b6
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2976 characters]

key_value_pairs:
  {"name": "NF3", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 49.52691388130188, "bsse_corrected": 0.0}


unique_id: 5880986cad5ac4845171aeefbc89d2e1
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2976 characters]

key_value_pairs:
  {"name": "PF3", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 65.988298892974854, "bsse_corrected": 0.0}


unique_id: 7403c023cbb3ce783e5aaa5cfc4befa5
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2976 characters]

key_value_pairs:
  {"name": "N2O", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 133.52781510353088, "bsse_corrected": 0.0}


unique_id: e60961c06875b35c5e13549bf90e4da6
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2976 characters]

key_value_pairs:
  {"name": "O3", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 23.715564012527466, "bsse_corrected": 0.0}


unique_id: 3e69b69847f2fde3d73c3ffb2bafb806
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2976 characters]

key_value_pairs:
  {"name": "O3", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 72.307440042495728, "bsse_corrected": 0.0}


unique_id: 4f188e5aefe3e2952dd94262e297c831
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2976 characters]

key_value_pairs:
  {"name": "F2O", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 28.61820387840271, "bsse_corrected": 0.0}


unique_id: 270d6c8ad7ef8db3189c70e0362666a6
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2976 characters]

key_value_pairs:
  {"name": "ClNO", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 290.72511696815491, "bsse_corrected": 0.0}


unique_id: 92c76b1dde739a7a9d60bca828d8efd9
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2976 characters]

key_value_pairs:
  {"name": "SiCl4", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 462.07727313041687, "bsse_corrected": 0.0}


unique_id: 88580878d4a018610dd0806b24ae2128
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2976 characters]

key_value_pairs:
  {"name": "NF3", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 318.79768705368042, "bsse_corrected": 0.0}


unique_id: 45c6ac4bad058fd6bdf1366fdfe0633e
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2976 characters]

key_value_pairs:
  {"name": "F2O", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 141.7904200553894, "bsse_corrected": 0.0}


unique_id: 72dcbc81cda75d1b9399f101695023f0
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2976 characters]

key_value_pairs:
  {"name": "ClF3", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 79.502980947494507, "bsse_corrected": 0.0}


unique_id: c96888409a5b2bc57da3b9457eec1778
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2976 characters]

key_value_pairs:
  {"name": "PF3", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 332.80832481384277, "bsse_corrected": 0.0}


unique_id: a6ad16e50b9870123d44a6dc381602bb
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2976 characters]

key_value_pairs:
  {"name": "C2F4", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 129.78186106681824, "bsse_corrected": 0.0}


unique_id: 6155c0d1c42d39feccf76189d2770bc3
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2976 characters]

key_value_pairs:
  {"name": "C3H4_C3v", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 98.413853883743286, "bsse_corrected": 0.0}


unique_id: f3781ac43fc87f5d6c3a4c1765c4f829
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2976 characters]

key_value_pairs:
  {"name": "CF3CN", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 167.71002411842346, "bsse_corrected": 0.0}


unique_id: 643b54c13032f3e2edb842dc22efc25f
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2976 characters]

key_value_pairs:
  {"name": "C3H4_D2d", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 106.89049100875854, "bsse_corrected": 0.0}


unique_id: 5961ee51f231875b390aa3cb7a12d313
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2976 characters]

key_value_pairs:
  {"name": "C2Cl4", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 197.18563985824585, "bsse_corrected": 0.0}


unique_id: c669ec5612e180730d5f7654a37feb89
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2976 characters]

key_value_pairs:
  {"name": "ClF3", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 541.42016196250916, "bsse_corrected": 0.0}


unique_id: ff99e09b24fe4769d02d94ad5cf09446
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2976 characters]

key_value_pairs:
  {"name": "C3H4_C2v", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 89.152005910873413, "bsse_corrected": 0.0}


unique_id: 24b33472cde0f96077e4432436d23704
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2976 characters]

key_value_pairs:
  {"name": "C2Cl4", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 584.9121630191803, "bsse_corrected": 0.0}


unique_id: 12ab6ea1bd2c5ce6f217f3fe73f72f65
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2976 characters]

key_value_pairs:
  {"name": "C2F4", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 773.56049489974976, "bsse_corrected": 0.0}


unique_id: 8915966186c77ba6f6f9c05b24f71ff2
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2976 characters]

key_value_pairs:
  {"name": "C3H6_Cs", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 153.9747359752655, "bsse_corrected": 0.0}


unique_id: 67d185d729aad9c552a453f2cf8748ae
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2976 characters]

key_value_pairs:
  {"name": "C3H4_D2d", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 792.03363108634949, "bsse_corrected": 0.0}


unique_id: 820144a3995434a11c999cdd1886598a
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2976 characters]

key_value_pairs:
  {"name": "C3H4_C3v", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 863.42285895347595, "bsse_corrected": 0.0}


unique_id: 712282f6589d8225d2810d9e6a424368
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2976 characters]

key_value_pairs:
  {"name": "C3H6_D3h", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 131.66460394859314, "bsse_corrected": 0.0}


unique_id: f2a4bf608d1bf5b53f9aa912618579d1
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2976 characters]

key_value_pairs:
  {"name": "butadiene", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 206.55934906005859, "bsse_corrected": 0.0}


unique_id: 47e1bfe27e55f081ee20e938651da56d
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2976 characters]

key_value_pairs:
  {"name": "C3H8", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 232.42612600326538, "bsse_corrected": 0.0}


unique_id: 190333e0f39cf82778e6f15baefcd921
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2976 characters]

key_value_pairs:
  {"name": "CF3CN", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 1092.305792093277, "bsse_corrected": 0.0}


unique_id: e67b8a372c58e931f92562d00fa778dd
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2976 characters]

key_value_pairs:
  {"name": "2-butyne", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 200.67163920402527, "bsse_corrected": 0.0}


unique_id: 3d8f8691ff677ced67b40bff657fec5c
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2976 characters]

key_value_pairs:
  {"name": "C3H4_C2v", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 909.8607029914856, "bsse_corrected": 0.0}


unique_id: 471d539ce2d82aeed0b2c52fdee86d6c
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2976 characters]

key_value_pairs:
  {"name": "C3H6_D3h", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 787.7922420501709, "bsse_corrected": 0.0}


unique_id: a8a940e4d857ebd89edbe1e35035ca24
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2976 characters]

key_value_pairs:
  {"name": "methylenecyclopropane", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 244.07793211936951, "bsse_corrected": 0.0}


unique_id: cc6c99b8117fdab4a28937e3d907a3e7
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2976 characters]

key_value_pairs:
  {"name": "bicyclobutane", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 197.69713401794434, "bsse_corrected": 0.0}


unique_id: a58fb557442f95fbddb2d75ac8ae678c
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2976 characters]

key_value_pairs:
  {"name": "cyclobutene", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 253.03620910644531, "bsse_corrected": 0.0}


unique_id: f28fe27e5f288eb370f248b51049622c
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2976 characters]

key_value_pairs:
  {"name": "cyclobutane", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 278.76828098297119, "bsse_corrected": 0.0}


unique_id: e19f5348ebb4c8ecfed4c6999d6c9fb3
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2976 characters]

key_value_pairs:
  {"name": "2-butyne", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 1566.9329218864441, "bsse_corrected": 0.0}


unique_id: 7635242af67bdcc2fc52dd433a2707b8
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2976 characters]

key_value_pairs:
  {"name": "isobutene", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 331.30418395996094, "bsse_corrected": 0.0}


unique_id: b27f78338a40a5bc5fd23ccb2eba90fd
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2976 characters]

key_value_pairs:
  {"name": "C3H6_Cs", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 2627.7553761005402, "bsse_corrected": 0.0}


unique_id: f0494038c8c67d9af2b864d4bcbbc31b
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2976 characters]

key_value_pairs:
  {"name": "butadiene", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 2680.4999599456787, "bsse_corrected": 0.0}


unique_id: 52674c4447d87e3162974f2c5ae1757d
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2976 characters]

key_value_pairs:
  {"name": "trans-butane", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 380.59630513191223, "bsse_corrected": 0.0}


unique_id: f018cd7990992d711b316bfbaea63c96
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2976 characters]

key_value_pairs:
  {"name": "cyclobutene", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 1824.5400099754333, "bsse_corrected": 0.0}


unique_id: 7c55005cf2621f5b58aa3cc91fb52140
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2976 characters]

key_value_pairs:
  {"name": "methylenecyclopropane", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 2238.3488731384277, "bsse_corrected": 0.0}


unique_id: c6e0e6e8b2f111a2deb45997f97ff3d0
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2976 characters]

key_value_pairs:
  {"name": "isobutane", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 382.79092907905579, "bsse_corrected": 0.0}


unique_id: d531391909019a8493d5a3c381fa8200
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2976 characters]

key_value_pairs:
  {"name": "C5H8", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 398.9675030708313, "bsse_corrected": 0.0}


unique_id: 19de74bbe0682d3bdd9b82bbb7c21c51
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2976 characters]

key_value_pairs:
  {"name": "C6H6", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 391.99272394180298, "bsse_corrected": 0.0}


unique_id: e673f10b81b5cba5f0d5fc26907c3b71
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2976 characters]

key_value_pairs:
  {"name": "bicyclobutane", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 2900.6484339237213, "bsse_corrected": 0.0}


unique_id: cb88dc3ee50acbc0c3b023da02290b08
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2976 characters]

key_value_pairs:
  {"name": "H2CF2", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 55.914911031723022, "bsse_corrected": 0.0}


unique_id: 76946ba40072e04ec56deb13e0dad053
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2976 characters]

key_value_pairs:
  {"name": "H2CF2", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 445.77611804008484, "bsse_corrected": 0.0}


unique_id: e854b7030884f676fb31f8d028b9e631
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2976 characters]

key_value_pairs:
  {"name": "C3H8", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 4209.6928110122681, "bsse_corrected": 0.0}


unique_id: bf0b10e30d5ae7e02ee5f4898351ae20
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2976 characters]

key_value_pairs:
  {"name": "H2CCl2", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 69.617302894592285, "bsse_corrected": 0.0}


unique_id: a23d35461edfecc42b715c81deb7b247
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2976 characters]

key_value_pairs:
  {"name": "HCF3", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 77.077080965042114, "bsse_corrected": 0.0}


unique_id: d024290ebb1137f6a9f16b0b7317682d
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2976 characters]

key_value_pairs:
  {"name": "C6H6", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 1109.972620010376, "bsse_corrected": 0.0}


unique_id: ab83acb7cd8890c64015f775bf14c2e4
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2976 characters]

key_value_pairs:
  {"name": "HCCl3", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 107.67874884605408, "bsse_corrected": 0.0}


unique_id: ba32596f8b1578cec5ff1e1e49381f3b
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2976 characters]

key_value_pairs:
  {"name": "HCF3", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 299.8669810295105, "bsse_corrected": 0.0}


unique_id: 9e70be9a1e9db0fac6dc3db670e44a57
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2976 characters]

key_value_pairs:
  {"name": "H3CNH2", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 77.315349102020264, "bsse_corrected": 0.0}


unique_id: 8032d3c43efd41345f736b3a1b1cd757
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2976 characters]

key_value_pairs:
  {"name": "HCCl3", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 334.83739900588989, "bsse_corrected": 0.0}


unique_id: e6cd799c63612ee4570de63b997f9b44
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2976 characters]

key_value_pairs:
  {"name": "CH3CN", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 76.99682092666626, "bsse_corrected": 0.0}


unique_id: b10e90b4b5afb5eddb9dfca3d43c7b9e
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2976 characters]

key_value_pairs:
  {"name": "H2CCl2", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 718.32070302963257, "bsse_corrected": 0.0}


unique_id: dfd1e7c2b5d9fbd4d1c35ff498d28e14
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2976 characters]

key_value_pairs:
  {"name": "CH3NO2", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 122.35349798202515, "bsse_corrected": 0.0}


unique_id: 9c955a1ede9e1342cf160053714d9d33
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2976 characters]

key_value_pairs:
  {"name": "CH3CN", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 691.60026502609253, "bsse_corrected": 0.0}


unique_id: 95d759edade63df9ebfd1951f33a168c
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2976 characters]

key_value_pairs:
  {"name": "CH3ONO", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 136.28146886825562, "bsse_corrected": 0.0}


unique_id: a67074bc07d570b81fcb8ed38eba4c41
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2976 characters]

key_value_pairs:
  {"name": "H3CNH2", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 1107.7001469135284, "bsse_corrected": 0.0}


unique_id: cbb5d0c8af574c41a3de85f7e27abee4
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2976 characters]

key_value_pairs:
  {"name": "CH3SiH3", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 106.7884361743927, "bsse_corrected": 0.0}


unique_id: 2a99731c98cbc5a257dae126964724e5
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2976 characters]

key_value_pairs:
  {"name": "isobutene", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 3844.707603931427, "bsse_corrected": 0.0}


unique_id: 58cdb74e2c4628c3a5a55b0acdfc13dc
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2976 characters]

key_value_pairs:
  {"name": "HCOOH", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 58.958665132522583, "bsse_corrected": 0.0}


unique_id: e767cd4fbd94445d24f371f7c7854b0a
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2976 characters]

key_value_pairs:
  {"name": "C5H8", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 3141.4860179424286, "bsse_corrected": 0.0}


unique_id: 911df3199da9244eca63fa1b2fb11068
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2976 characters]

key_value_pairs:
  {"name": "CH3NO2", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 1322.7204291820526, "bsse_corrected": 0.0}


unique_id: 84d85c8d2fded316cc0ef8380a3b5970
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2976 characters]

key_value_pairs:
  {"name": "cyclobutane", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 5046.2518768310547, "bsse_corrected": 0.0}


unique_id: 197b9fdfd2c43b3e899221d60d6e042d
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2976 characters]

key_value_pairs:
  {"name": "HCOOCH3", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 174.63150095939636, "bsse_corrected": 0.0}


unique_id: 82a666acb258691cc8e88e1476e51f5c
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2976 characters]

key_value_pairs:
  {"name": "CH3SiH3", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 640.58689904212952, "bsse_corrected": 0.0}


unique_id: 6cd4a784b4ee3bc74135479b22f036f7
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2976 characters]

key_value_pairs:
  {"name": "NCCN", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 50.172940969467163, "bsse_corrected": 0.0}


unique_id: 684d02991bdddab13da3a52eaf2b42ac
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2976 characters]

key_value_pairs:
  {"name": "CH2NHCH2", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 129.83054995536804, "bsse_corrected": 0.0}


unique_id: a5e709d9941e3a5e064b79d88edc0930
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2976 characters]

key_value_pairs:
  {"name": "CH3CONH2", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 223.27231788635254, "bsse_corrected": 0.0}


unique_id: 55ecbd7c64f2a5a217277247eb47e5f0
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2976 characters]

key_value_pairs:
  {"name": "NCCN", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 179.25697994232178, "bsse_corrected": 0.0}


unique_id: e7291ae159d3fe8001887d2f2d6195ff
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2976 characters]

key_value_pairs:
  {"name": "HCOOH", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 700.16011095046997, "bsse_corrected": 0.0}


unique_id: 6ba2a1a49a7e56440bc7177f34b31e99
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2976 characters]

key_value_pairs:
  {"name": "C2H6NH", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 185.92472100257874, "bsse_corrected": 0.0}


unique_id: 111dad5b78a09d9a3216a7b9efab6286
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2976 characters]

key_value_pairs:
  {"name": "CH3CH2NH2", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 212.53558397293091, "bsse_corrected": 0.0}


unique_id: 94f343d7c5b206486a76a0bdea320b04
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2976 characters]

key_value_pairs:
  {"name": "CH2NHCH2", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 1113.0644800662994, "bsse_corrected": 0.0}


unique_id: ef825672638b2847d713d104a922de86
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2976 characters]

key_value_pairs:
  {"name": "H2CCO", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 58.551168203353882, "bsse_corrected": 0.0}


unique_id: 1972c2307f1d68ebbf604f1e5f76fa02
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2976 characters]

key_value_pairs:
  {"name": "CH3ONO", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 2418.359992980957, "bsse_corrected": 0.0}


unique_id: d56eb7ecf540345ebf16e7b1387a91a5
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2976 characters]

key_value_pairs:
  {"name": "H2CCO", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 412.91387510299683, "bsse_corrected": 0.0}


unique_id: 5c560347638b96e3b73f119f1d1436e4
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2976 characters]

key_value_pairs:
  {"name": "CH2OCH2", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 99.486742973327637, "bsse_corrected": 0.0}


unique_id: 5ab2f9c7812bcb8f59347435d4cd93f4
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2976 characters]

key_value_pairs:
  {"name": "CH3CHO", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 101.35677981376648, "bsse_corrected": 0.0}


unique_id: 2da749bdd02828455ec6454c0d9669ca
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2976 characters]

key_value_pairs:
  {"name": "CH2OCH2", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 603.88090705871582, "bsse_corrected": 0.0}


unique_id: 8b9f0025e23bf82144f659d3526805e2
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2976 characters]

key_value_pairs:
  {"name": "OCHCHO", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 89.77400803565979, "bsse_corrected": 0.0}


unique_id: 8593784747d4cc9cdbd58da8d9f4be1d
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2976 characters]

key_value_pairs:
  {"name": "HCOOCH3", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 2961.1168389320374, "bsse_corrected": 0.0}


unique_id: ddeeac94de42a0aa10da3b7c3068f39b
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2976 characters]

key_value_pairs:
  {"name": "trans-butane", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 6769.9427242279053, "bsse_corrected": 0.0}


unique_id: 7270509e3a3197ac1f479cff45d29fd8
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2976 characters]

key_value_pairs:
  {"name": "CH3CH2OH", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 141.12725496292114, "bsse_corrected": 0.0}


unique_id: 3c85fa884c9f908026bbda493b4e906d
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2976 characters]

key_value_pairs:
  {"name": "OCHCHO", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 746.5597140789032, "bsse_corrected": 0.0}


unique_id: 5ad027c7c774f60a8ae265a8731eedda
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2976 characters]

key_value_pairs:
  {"name": "CH3OCH3", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 169.58994197845459, "bsse_corrected": 0.0}


unique_id: 8d61bb2dd54d76108b45dcfc5ec9d7d3
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2976 characters]

key_value_pairs:
  {"name": "CH2SCH2", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 123.15128803253174, "bsse_corrected": 0.0}


unique_id: 7c91ac6b2c8a1990da8911db2b924bcc
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2976 characters]

key_value_pairs:
  {"name": "CH3CHO", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 1518.2084000110626, "bsse_corrected": 0.0}


unique_id: f1547ab01055cc747e010c07eaee9d09
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2976 characters]

key_value_pairs:
  {"name": "isobutane", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 6902.2750368118286, "bsse_corrected": 0.0}


unique_id: 43a20ee7ce1fe66ea7e04bb0262a5536
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2976 characters]

key_value_pairs:
  {"name": "C2H6SO", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 290.04760503768921, "bsse_corrected": 0.0}


unique_id: 99c3f0d7fccee015a9b0922fc4d57aff
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2976 characters]

key_value_pairs:
  {"name": "CH3CH2SH", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 198.10031700134277, "bsse_corrected": 0.0}


unique_id: f7d55e40b7fc2d201ef702efe560c5fb
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2976 characters]

key_value_pairs:
  {"name": "CH2SCH2", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 1054.8412339687347, "bsse_corrected": 0.0}


unique_id: 5171a4f2015016810c7b9856244db0b6
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2976 characters]

key_value_pairs:
  {"name": "CH3SCH3", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 169.28252696990967, "bsse_corrected": 0.0}


unique_id: 54550f470f8900d59632db066263b653
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2976 characters]

key_value_pairs:
  {"name": "CH3CH2NH2", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 4232.8714199066162, "bsse_corrected": 0.0}


unique_id: 3348f238f2d9c6c699a6f98e1986aa30
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2976 characters]

key_value_pairs:
  {"name": "H2CCHF", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 84.099018096923828, "bsse_corrected": 0.0}


unique_id: 89a500de33e0d3333d905549fad4a2de
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2976 characters]

key_value_pairs:
  {"name": "C2H6NH", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 4499.9888441562653, "bsse_corrected": 0.0}


unique_id: 4d5d4be0437f42db9c4718a27a2c01e4
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2976 characters]

key_value_pairs:
  {"name": "CH3CH2Cl", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 146.30107283592224, "bsse_corrected": 0.0}


unique_id: 750b6a75afb8c147a75fbcfdc2e2eadb
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2976 characters]

key_value_pairs:
  {"name": "CH3OCH3", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 2471.6896259784698, "bsse_corrected": 0.0}


unique_id: 5fa8dd9a3495ebf53bc4d8d6c0b5782a
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2976 characters]

key_value_pairs:
  {"name": "H2CCHCl", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 99.342361927032471, "bsse_corrected": 0.0}


unique_id: 70dfe93b757cfd13501a9b05d34c98b0
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2976 characters]

key_value_pairs:
  {"name": "H2CCHF", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 975.39441800117493, "bsse_corrected": 0.0}


unique_id: 7e38913bc625b18704d52d5ac44803fc
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2976 characters]

key_value_pairs:
  {"name": "H2CCHCN", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 125.53140115737915, "bsse_corrected": 0.0}


unique_id: 454157d5b9ff8778480b57a78f309654
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2976 characters]

key_value_pairs:
  {"name": "CH3CH2SH", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 2357.640044927597, "bsse_corrected": 0.0}


unique_id: e90008dfe35dbf667fddcd1cd34e3262
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2976 characters]

key_value_pairs:
  {"name": "CH3CONH2", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 5994.1492269039154, "bsse_corrected": 0.0}


unique_id: 828706a27e5feb74797e806ddeba08ca
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2976 characters]

key_value_pairs:
  {"name": "CH3COCH3", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 249.99483585357666, "bsse_corrected": 0.0}


unique_id: cb36b62ea7ceca09c4797266a9d14030
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2976 characters]

key_value_pairs:
  {"name": "CH3COOH", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 173.67112588882446, "bsse_corrected": 0.0}


unique_id: 9049f0b5565699fc126a9b5b1972d4b1
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2976 characters]

key_value_pairs:
  {"name": "CH3CH2OH", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 3256.1814820766449, "bsse_corrected": 0.0}


unique_id: bd77ada26f911567ef08aae9468dbecb
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2976 characters]

key_value_pairs:
  {"name": "CH3COF", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 136.28812718391418, "bsse_corrected": 0.0}


unique_id: 9c276d9053491bebaa966b0aec05f405
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2976 characters]

key_value_pairs:
  {"name": "H2CCHCl", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 1283.0649869441986, "bsse_corrected": 0.0}


unique_id: e4d85e927cd3f096c1f1109e0a1c9036
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2976 characters]

key_value_pairs:
  {"name": "CH3COCl", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 160.27407002449036, "bsse_corrected": 0.0}


unique_id: 1e67991a981c06d6a5862c10547624a1
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2976 characters]

key_value_pairs:
  {"name": "CH3CH2Cl", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 2215.4834249019623, "bsse_corrected": 0.0}


unique_id: f3a0dd007556147fd9bd7bed7de2af9d
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2976 characters]

key_value_pairs:
  {"name": "C3H7Cl", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 313.25427794456482, "bsse_corrected": 0.0}


unique_id: 334e070c31e17ed35b76a1ba29ca956c
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2976 characters]

key_value_pairs:
  {"name": "CH3SCH3", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 3385.0502820014954, "bsse_corrected": 0.0}


unique_id: d15049a708246ffd8fd1ac8945749fe9
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2976 characters]

key_value_pairs:
  {"name": "CH3COF", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 1441.4887039661407, "bsse_corrected": 0.0}


unique_id: 446af3ee1e3b3aa6ac1f03965740d7e6
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2976 characters]

key_value_pairs:
  {"name": "C2H6CHOH", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 331.57690000534058, "bsse_corrected": 0.0}


unique_id: ab579ef7865d93048d7a7f119c544043
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2976 characters]

key_value_pairs:
  {"name": "CH3CH2OCH3", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 344.40391492843628, "bsse_corrected": 0.0}


unique_id: d4cff83ecca782957f23c22b71875fce
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2976 characters]

key_value_pairs:
  {"name": "H2CCHCN", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 2734.4564819335938, "bsse_corrected": 0.0}


unique_id: 78116e6676db8de00c7c65273d95a415
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2976 characters]

key_value_pairs:
  {"name": "CH3COOH", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 2426.7142550945282, "bsse_corrected": 0.0}


unique_id: 80950de9a26d5a6741369bb16c9221f3
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2976 characters]

key_value_pairs:
  {"name": "C4H4O", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 211.20441699028015, "bsse_corrected": 0.0}


unique_id: d3d57bdfca82d31203e85d9bd8b4af4c
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2976 characters]

key_value_pairs:
  {"name": "C3H9N", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 390.23830103874207, "bsse_corrected": 0.0}


unique_id: 475a5106ae301480f123080ba8b91076
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2976 characters]

key_value_pairs:
  {"name": "CH3COCH3", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 3128.8325109481812, "bsse_corrected": 0.0}


unique_id: 870225c140d57cccfe8d4cba2997905b
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2976 characters]

key_value_pairs:
  {"name": "CH3COCl", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 2407.103147983551, "bsse_corrected": 0.0}


unique_id: d24578c66d6c4536d30b468bfeb40796
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2976 characters]

key_value_pairs:
  {"name": "C4H4S", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 276.88651299476624, "bsse_corrected": 0.0}


unique_id: b933292968e7d1620363d4063c9f84f5
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2976 characters]

key_value_pairs:
  {"name": "C4H4NH", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 264.49777603149414, "bsse_corrected": 0.0}


unique_id: cff04861c74c26ba12866e945e46e2bf
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2976 characters]

key_value_pairs:
  {"name": "C4H4O", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 1968.8017330169678, "bsse_corrected": 0.0}


unique_id: 2ae6b1debd76decfe336544f69fb05cd
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2976 characters]

key_value_pairs:
  {"name": "C5H5N", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 389.61821103096008, "bsse_corrected": 0.0}


unique_id: d4ac39de900dfdd04f0e4a2c287072f7
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2976 characters]

key_value_pairs:
  {"name": "C2H6SO", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 7898.1703298091888, "bsse_corrected": 0.0}


unique_id: 3ec215dffbfdf6ddeef608c7cc3254f0
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2976 characters]

key_value_pairs:
  {"name": "H2", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 4.4827589988708496, "bsse_corrected": 0.0}


unique_id: 7d96ddcb60c3426165df5a220a97f59b
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2976 characters]

key_value_pairs:
  {"name": "H2", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 8.3080878257751465, "bsse_corrected": 0.0}


unique_id: e41d5a225158db9d4a8b002850123ab4
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 3249 characters]

key_value_pairs:
  {"name": "CCH", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 49.121099948883057, "bsse_corrected": 0.0}


unique_id: a7f61782e2c506ea3f1bc47f264d7440
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 3249 characters]

key_value_pairs:
  {"name": "CCH", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 341.76125812530518, "bsse_corrected": 0.0}


unique_id: 5db1f99d1fb6fce97a329a6bfbd2b2d4
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 3249 characters]

key_value_pairs:
  {"name": "C2H3", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 77.054573059082031, "bsse_corrected": 0.0}


unique_id: 69f6fe859bddd72c24dbff6790bf2d64
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2976 characters]

key_value_pairs:
  {"name": "C4H4NH", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 2384.6615600585938, "bsse_corrected": 0.0}


unique_id: ced68f0b92786c6736ff3c420aa42a06
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 3249 characters]

key_value_pairs:
  {"name": "CH3CO", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 136.73584198951721, "bsse_corrected": 0.0}


unique_id: 619cccf3f4dca34b233091121f3d3240
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2976 characters]

key_value_pairs:
  {"name": "C4H4S", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 2764.1941721439362, "bsse_corrected": 0.0}


unique_id: 22d754b8273c6bf61a3288ecf24b683a
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 3249 characters]

key_value_pairs:
  {"name": "H2COH", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 79.132082939147949, "bsse_corrected": 0.0}


unique_id: 7e0c4a307987ae1629f47cfeb043b645
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 3249 characters]

key_value_pairs:
  {"name": "C2H3", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 1330.4880559444427, "bsse_corrected": 0.0}


unique_id: cabde370f4b285dbf699ac8e7325da6b
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 3249 characters]

key_value_pairs:
  {"name": "CH3O", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 66.950405836105347, "bsse_corrected": 0.0}


unique_id: b6805a94671bd12df1d2f96d14f6f7cb
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2976 characters]

key_value_pairs:
  {"name": "C5H5N", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 2692.6149079799652, "bsse_corrected": 0.0}


unique_id: ee5faeeb50848885fe6ad675127975fa
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 3249 characters]

key_value_pairs:
  {"name": "H2COH", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 1550.1373999118805, "bsse_corrected": 0.0}


unique_id: 1a309f30884114e942728200669c4647
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 3249 characters]

key_value_pairs:
  {"name": "CH3S", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 82.195575952529907, "bsse_corrected": 0.0}


unique_id: 213bb21a8b969dc3a096f06a41d3dfe0
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 3249 characters]

key_value_pairs:
  {"name": "CH3CO", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 1805.8082399368286, "bsse_corrected": 0.0}


unique_id: be40cb9d9ee0b7123d3de7c953e78ff4
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 3249 characters]

key_value_pairs:
  {"name": "CH3CH2O", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 251.29700183868408, "bsse_corrected": 0.0}


unique_id: 51ba3d1efa4fefb321f64624721bc4a6
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 3249 characters]

key_value_pairs:
  {"name": "CH3O", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 779.67704200744629, "bsse_corrected": 0.0}


unique_id: 56a3b2334ae65decdfbded2e1fe8f061
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 3249 characters]

key_value_pairs:
  {"name": "C2H5", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 140.34642601013184, "bsse_corrected": 0.0}


unique_id: 1eb410c2b7b555d1c8f781e305fd2198
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 3249 characters]

key_value_pairs:
  {"name": "C3H7", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 322.70900988578796, "bsse_corrected": 0.0}


unique_id: f3e51315d1b33d83a129deb9a8849430
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 3249 characters]

key_value_pairs:
  {"name": "CH3S", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 1035.7585549354553, "bsse_corrected": 0.0}


unique_id: f2209acbb5f5ea393347b7da589f6520
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2976 characters]

key_value_pairs:
  {"name": "C3H7Cl", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 7795.4564559459686, "bsse_corrected": 0.0}


unique_id: 7cb8b5def39f016283110b363f55e8d4
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 3249 characters]

key_value_pairs:
  {"name": "NO2", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 40.852864027023315, "bsse_corrected": 0.0}


unique_id: e37fb14b50dbc7a6c6eca3aec4db7742
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 3249 characters]

key_value_pairs:
  {"name": "NO2", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 261.64304995536804, "bsse_corrected": 0.0}


unique_id: 6a0da8e4f14c9f165ca838dfe6a503c8
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 3249 characters]

key_value_pairs:
  {"name": "C3H9C", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 711.91188883781433, "bsse_corrected": 0.0}


unique_id: 2fa07cbc6c1b5c0d61f39fddb51086fb
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 3249 characters]

key_value_pairs:
  {"name": "C2H5", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 1833.5974018573761, "bsse_corrected": 0.0}


unique_id: b96a49707f68874f7b9b7e6f0136bf70
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2976 characters]

key_value_pairs:
  {"name": "C3H9N", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 7424.8106520175934, "bsse_corrected": 0.0}


unique_id: 360a3022936fa361f3ccb8e8ab891ebb
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2976 characters]

key_value_pairs:
  {"name": "CH3CH2OCH3", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 8868.2937021255493, "bsse_corrected": 0.0}


unique_id: f3c583224e269626ed4158491910efa9
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2976 characters]

key_value_pairs:
  {"name": "C2H6CHOH", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 9889.8466150760651, "bsse_corrected": 0.0}


unique_id: 1ac3c0d1ba41274c61121e6cdd548f56
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 3249 characters]

key_value_pairs:
  {"name": "CH3CH2O", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 9446.8387131690979, "bsse_corrected": 0.0}


unique_id: bb5d36be46993c82df5419d61e4e3ccc
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 3249 characters]

key_value_pairs:
  {"name": "C3H7", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 14452.763771057129, "bsse_corrected": 0.0}


unique_id: 7627b042ba5d43ce4f6fbe835971b296
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 3249 characters]

key_value_pairs:
  {"name": "C3H9C", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 14090.974320173264, "bsse_corrected": 0.0}


unique_id: 4043c8cb395fb3382706c40211c782b2
username: dulak
calculator: aims
data: null
calculator_parameters:
  "\"\\\"\\\\\\\"\\\\\\\\\\\\\\\"\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"{\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"charge_mix_param\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": 0.00050000000000000001, \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"sc_iter_limit\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": 19000, \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"KS_method\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"elpa\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\", \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"relativistic\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": [\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"atomic_zora\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\", \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"scalar\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"], \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"xc\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"pbe\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\", \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"override_illconditioning\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": true, \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"species_dir\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"/home/niflheim2/dulak/projects/dcdft/aims/tier3\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\", \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"sc_accuracy_eev\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": 5.0000000000000002e-05, \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"sc_accuracy_rho\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": 5.0000000000000002e-05, \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"sc_accuracy_forces\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": 0.001, \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"occupation_type\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": [\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"gaussian\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\", 4.9999999999999998e-07], \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"spin\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"collinear\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\", \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"basis_threshold\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": 1.0000000000000001e-05, \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"override_relativity\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": true}\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"\\\\\\\\\\\\\\\"\\\\\\\"\\\"\""

key_value_pairs:
  {"name": "C", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 12.66171407699585, "bsse_corrected": 0.0}


unique_id: 80a5b0edd42fdb2362e3df5edb005924
username: dulak
calculator: aims
data: null
calculator_parameters:
  "\"\\\"\\\\\\\"\\\\\\\\\\\\\\\"\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"{\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"charge_mix_param\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": 0.0001, \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"sc_iter_limit\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": 19000, \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"KS_method\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"elpa\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\", \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"relativistic\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": [\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"atomic_zora\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\", \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"scalar\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"], \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"xc\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"pbe\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\", \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"override_illconditioning\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": true, \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"species_dir\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"/home/niflheim2/dulak/projects/dcdft/aims/tier3\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\", \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"sc_accuracy_eev\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": 5.0000000000000002e-05, \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"sc_accuracy_rho\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": 0.0001, \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"sc_accuracy_forces\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": 0.001, \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"occupation_type\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": [\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"gaussian\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\", 4.9999999999999998e-07], \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"spin\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"collinear\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\", \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"basis_threshold\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": 1.0000000000000001e-05, \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"override_relativity\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": true}\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"\\\\\\\\\\\\\\\"\\\\\\\"\\\"\""

key_value_pairs:
  {"name": "F", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 45.4042649269104, "bsse_corrected": 0.0}


unique_id: 84fb96287608e5f665129d97db5d38d5
username: dulak
calculator: aims
data: null
calculator_parameters:
  "\"\\\"\\\\\\\"\\\\\\\\\\\\\\\"\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"{\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"charge_mix_param\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": 0.0001, \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"sc_iter_limit\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": 19000, \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"KS_method\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"elpa\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\", \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"relativistic\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": [\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"atomic_zora\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\", \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"scalar\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"], \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"xc\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"pbe\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\", \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"override_illconditioning\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": true, \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"species_dir\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"/home/niflheim2/dulak/projects/dcdft/aims/tier3\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\", \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"sc_accuracy_eev\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": 5.0000000000000002e-05, \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"sc_accuracy_rho\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": 0.0001, \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"sc_accuracy_forces\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": 0.001, \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"occupation_type\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": [\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"gaussian\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\", 4.9999999999999998e-07], \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"spin\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"collinear\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\", \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"basis_threshold\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": 1.0000000000000001e-05, \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"override_relativity\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": true}\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"\\\\\\\\\\\\\\\"\\\\\\\"\\\"\""

key_value_pairs:
  {"name": "Si", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 25.922200918197632, "bsse_corrected": 0.0}


unique_id: 5889d5680b5c74ec74fb7d6386c852da
username: dulak
calculator: aims
data: null
calculator_parameters:
  "\"\\\"\\\\\\\"\\\\\\\\\\\\\\\"\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"{\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"charge_mix_param\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": 0.0001, \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"sc_iter_limit\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": 19000, \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"KS_method\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"elpa\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\", \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"relativistic\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": [\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"atomic_zora\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\", \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"scalar\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"], \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"xc\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"pbe\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\", \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"override_illconditioning\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": true, \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"species_dir\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"/home/niflheim2/dulak/projects/dcdft/aims/tier3\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\", \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"sc_accuracy_eev\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": 5.0000000000000002e-05, \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"sc_accuracy_rho\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": 0.0001, \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"sc_accuracy_forces\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": 0.001, \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"occupation_type\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": [\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"gaussian\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\", 4.9999999999999998e-07], \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"spin\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"collinear\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\", \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"basis_threshold\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": 1.0000000000000001e-05, \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"override_relativity\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": true}\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"\\\\\\\\\\\\\\\"\\\\\\\"\\\"\""

key_value_pairs:
  {"name": "S", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 79.962835073471069, "bsse_corrected": 0.0}


unique_id: 38d7283f0a9c62887a61b35bce70d657
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 3250 characters]

key_value_pairs:
  {"name": "Cl", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 106.26576113700867, "bsse_corrected": 0.0}


unique_id: 8917611e7930f8c6ee3fa374c4355ddf
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 3250 characters]

key_value_pairs:
  {"name": "Al", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 15.862258911132812, "bsse_corrected": 0.0}


unique_id: c438b1f09a10d2dbda0c78785f65796a
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 3249 characters]

key_value_pairs:
  {"name": "SiH2_s3B1d", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 9.9837069511413574, "bsse_corrected": 0.0}


unique_id: 6fda13fa6a1ae0e18f4eca817b18c410
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 3249 characters]

key_value_pairs:
  {"name": "SiH2_s3B1d", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 50.586519956588745, "bsse_corrected": 0.0}


unique_id: b2d280debfb330a6141f0b0d6d74e9d7
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 3250 characters]

key_value_pairs:
  {"name": "CH", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 15.678795099258423, "bsse_corrected": 0.0}


unique_id: 410825839856edbc3a3bf4dd69ca7a0d
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 3250 characters]

key_value_pairs:
  {"name": "CH", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 111.53306889533997, "bsse_corrected": 0.0}


unique_id: 653fb38ccb5b109d077ee219b59950de
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 3250 characters]

key_value_pairs:
  {"name": "ClO", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 140.06864500045776, "bsse_corrected": 0.0}


unique_id: fcf4fba386422da2da88035b712f56a7
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 3250 characters]

key_value_pairs:
  {"name": "ClO", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 375.05500388145447, "bsse_corrected": 0.0}


unique_id: d51e62deece2eb9adb2464859e0c8c63
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 3250 characters]

key_value_pairs:
  {"name": "SH", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 57.730329990386963, "bsse_corrected": 0.0}


unique_id: bcbc36613d00cc26e03488735f667509
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 3250 characters]

key_value_pairs:
  {"name": "SH", "basis": "tier3", "relativistic": "atomic_zora", "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 435.42123198509216, "bsse_corrected": 0.0}


unique_id: 7b773de6debae9c3791b06ddfaa2c394
username: dulak
calculator: aims
data: null
calculator_parameters:
  "\"\\\"\\\\\\\"\\\\\\\\\\\\\\\"\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"{\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"charge_mix_param\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": 0.00050000000000000001, \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"sc_iter_limit\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": 19000, \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"KS_method\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"elpa\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\", \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"relativistic\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"none\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\", \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"xc\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"pbe\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\", \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"override_illconditioning\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": true, \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"species_dir\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"/home/niflheim2/dulak/projects/dcdft/aims/tight\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\", \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"sc_accuracy_eev\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": 0.001, \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"sc_accuracy_rho\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": 0.0001, \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"sc_accuracy_forces\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": 0.001, \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"occupation_type\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": [\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"gaussian\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\", 1.0000000000000001e-05], \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"spin\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"collinear\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\", \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"basis_threshold\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": 1.0000000000000001e-05, \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"override_relativity\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": true}\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"\\\\\\\\\\\\\\\"\\\\\\\"\\\"\""

key_value_pairs:
  {"name": "H", "basis": "tight", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 2.8288159370422363, "bsse_corrected": 0.0}


unique_id: f43ff736abe10d103713deccf1729e3e
username: dulak
calculator: aims
data: null
calculator_parameters:
  "\"\\\"\\\\\\\"\\\\\\\\\\\\\\\"\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"{\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"charge_mix_param\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": 0.00050000000000000001, \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"sc_iter_limit\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": 19000, \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"KS_method\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"elpa\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\", \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"relativistic\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"none\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\", \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"xc\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"pbe\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\", \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"override_illconditioning\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": true, \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"species_dir\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"/home/niflheim2/dulak/projects/dcdft/aims/tight\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\", \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"sc_accuracy_eev\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": 0.001, \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"sc_accuracy_rho\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": 0.0001, \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"sc_accuracy_forces\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": 0.001, \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"occupation_type\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": [\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"gaussian\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\", 1.0000000000000001e-05], \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"spin\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"collinear\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\", \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"basis_threshold\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": 1.0000000000000001e-05, \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"override_relativity\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": true}\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"\\\\\\\\\\\\\\\"\\\\\\\"\\\"\""

key_value_pairs:
  {"name": "Li", "basis": "tight", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 2.1469361782073975, "bsse_corrected": 0.0}


unique_id: 5a043ecd92f5c8c5d365ab8f80d9efdc
username: dulak
calculator: aims
data: null
calculator_parameters:
  "\"\\\"\\\\\\\"\\\\\\\\\\\\\\\"\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"{\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"charge_mix_param\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": 0.00050000000000000001, \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"sc_iter_limit\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": 19000, \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"KS_method\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"elpa\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\", \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"relativistic\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"none\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\", \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"xc\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"pbe\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\", \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"override_illconditioning\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": true, \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"species_dir\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"/home/niflheim2/dulak/projects/dcdft/aims/tight\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\", \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"sc_accuracy_eev\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": 0.001, \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"sc_accuracy_rho\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": 0.0001, \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"sc_accuracy_forces\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": 0.001, \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"occupation_type\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": [\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"gaussian\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\", 1.0000000000000001e-05], \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"basis_threshold\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": 1.0000000000000001e-05, \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"override_relativity\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": true}\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"\\\\\\\\\\\\\\\"\\\\\\\"\\\"\""

key_value_pairs:
  {"name": "Be", "basis": "tight", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 1.8846149444580078, "bsse_corrected": 0.0}


unique_id: 2b8d2dc03aed1dde79f92600cbe55461
username: dulak
calculator: aims
data: null
calculator_parameters:
  "\"\\\"\\\\\\\"\\\\\\\\\\\\\\\"\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"{\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"charge_mix_param\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": 0.00050000000000000001, \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"sc_iter_limit\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": 19000, \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"KS_method\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"elpa\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\", \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"relativistic\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"none\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\", \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"xc\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"pbe\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\", \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"override_illconditioning\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": true, \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"species_dir\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"/home/niflheim2/dulak/projects/dcdft/aims/tight\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\", \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"sc_accuracy_eev\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": 5.0000000000000002e-05, \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"sc_accuracy_rho\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": 5.0000000000000002e-05, \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"sc_accuracy_forces\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": 0.001, \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"occupation_type\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": [\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"gaussian\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\", 1.0000000000000001e-05], \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"spin\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"collinear\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\", \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"basis_threshold\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": 1.0000000000000001e-05, \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"override_relativity\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": true}\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"\\\\\\\\\\\\\\\"\\\\\\\"\\\"\""

key_value_pairs:
  {"name": "N", "basis": "tight", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 2.713191032409668, "bsse_corrected": 0.0}


unique_id: 399e742d395899d9220361c00d716be1
username: dulak
calculator: aims
data: null
calculator_parameters:
  "\"\\\"\\\\\\\"\\\\\\\\\\\\\\\"\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"{\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"charge_mix_param\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": 0.00050000000000000001, \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"sc_iter_limit\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": 19000, \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"KS_method\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"elpa\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\", \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"relativistic\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"none\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\", \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"xc\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"pbe\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\", \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"override_illconditioning\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": true, \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"species_dir\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"/home/niflheim2/dulak/projects/dcdft/aims/tight\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\", \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"sc_accuracy_eev\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": 0.001, \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"sc_accuracy_rho\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": 0.0001, \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"sc_accuracy_forces\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": 0.001, \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"occupation_type\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": [\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"gaussian\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\", 1.0000000000000001e-05], \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"spin\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"collinear\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\", \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"basis_threshold\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": 1.0000000000000001e-05, \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"override_relativity\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": true}\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"\\\\\\\\\\\\\\\"\\\\\\\"\\\"\""

key_value_pairs:
  {"name": "Na", "basis": "tight", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 2.252241849899292, "bsse_corrected": 0.0}


unique_id: e0d912caf62693d287f603c7bd6f22e1
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 3104 characters]

key_value_pairs:
  {"name": "P", "basis": "tight", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 2.7406919002532959, "bsse_corrected": 0.0}


unique_id: 8b85d292eb127f1bd1404a6b8d0af9f0
username: dulak
calculator: aims
data: null
calculator_parameters:
  "\"\\\"\\\\\\\"\\\\\\\\\\\\\\\"\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"{\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"charge_mix_param\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": 0.00050000000000000001, \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"sc_iter_limit\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": 19000, \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"KS_method\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"elpa\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\", \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"relativistic\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"none\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\", \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"xc\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"pbe\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\", \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"override_illconditioning\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": true, \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"species_dir\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"/home/niflheim2/dulak/projects/dcdft/aims/tight\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\", \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"sc_accuracy_eev\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": 0.001, \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"sc_accuracy_rho\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": 0.0001, \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"sc_accuracy_forces\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": 0.001, \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"occupation_type\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": [\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"gaussian\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\", 1.0000000000000001e-05], \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"basis_threshold\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": 1.0000000000000001e-05, \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"override_relativity\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": true}\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"\\\\\\\\\\\\\\\"\\\\\\\"\\\"\""

key_value_pairs:
  {"name": "LiH", "basis": "tight", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 3.9946908950805664, "bsse_corrected": 0.0}


unique_id: 3f087a095ed44ff9536c8310654a2c9b
username: dulak
calculator: aims
data: null
calculator_parameters:
  "\"\\\"\\\\\\\"\\\\\\\\\\\\\\\"\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"{\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"charge_mix_param\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": 0.00050000000000000001, \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"sc_iter_limit\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": 19000, \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"KS_method\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"elpa\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\", \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"relativistic\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"none\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\", \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"xc\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"pbe\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\", \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"override_illconditioning\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": true, \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"species_dir\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"/home/niflheim2/dulak/projects/dcdft/aims/tight\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\", \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"sc_accuracy_eev\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": 0.001, \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"sc_accuracy_rho\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": 0.0001, \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"sc_accuracy_forces\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": 0.001, \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"occupation_type\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": [\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"gaussian\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\", 1.0000000000000001e-05], \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"basis_threshold\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": 1.0000000000000001e-05, \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"override_relativity\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": true}\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"\\\\\\\\\\\\\\\"\\\\\\\"\\\"\""

key_value_pairs:
  {"name": "LiH", "basis": "tight", "relativistic": 0.0, "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 11.862984895706177, "bsse_corrected": 0.0}


unique_id: dbb9f67d000c57c7ce6493fad16d03a2
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 3104 characters]

key_value_pairs:
  {"name": "BeH", "basis": "tight", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 5.2816269397735596, "bsse_corrected": 0.0}


unique_id: 5beb56ddb413c5171a23a1f5c75a7a70
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 3104 characters]

key_value_pairs:
  {"name": "BeH", "basis": "tight", "relativistic": 0.0, "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 10.723669052124023, "bsse_corrected": 0.0}


unique_id: 46860228fa2b6db890a82856ad88b1d7
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 3104 characters]

key_value_pairs:
  {"name": "CH2_s3B1d", "basis": "tight", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 10.272870063781738, "bsse_corrected": 0.0}


unique_id: d3265928939752c577a770c8caeec424
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 3104 characters]

key_value_pairs:
  {"name": "CH2_s3B1d", "basis": "tight", "relativistic": 0.0, "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 57.061672925949097, "bsse_corrected": 0.0}


unique_id: b7a1f7bd133a3c5a93876e865e46183b
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "CH2_s1A1d", "basis": "tight", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 6.5628571510314941, "bsse_corrected": 0.0}


unique_id: 32646cd73a436a084ad9c19a1b020e24
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "CH2_s1A1d", "basis": "tight", "relativistic": 0.0, "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 33.313238143920898, "bsse_corrected": 0.0}


unique_id: 39ff2f52d6d998fcdbe926f08729084e
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 3104 characters]

key_value_pairs:
  {"name": "CH3", "basis": "tight", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 15.842584133148193, "bsse_corrected": 0.0}


unique_id: ea9aff2785c3283571c61564724b06bb
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 3104 characters]

key_value_pairs:
  {"name": "CH3", "basis": "tight", "relativistic": 0.0, "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 30.007277011871338, "bsse_corrected": 0.0}


unique_id: ae7161ebb7eaf4ef08bf563bb1506d17
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "CH4", "basis": "tight", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 11.520666122436523, "bsse_corrected": 0.0}


unique_id: 8ac0348373bec78252b8eda32b688d60
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "CH4", "basis": "tight", "relativistic": 0.0, "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 21.704848051071167, "bsse_corrected": 0.0}


unique_id: e13576715a2439566bb6d8a5b6b8a4ed
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 3104 characters]

key_value_pairs:
  {"name": "NH", "basis": "tight", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 6.638563871383667, "bsse_corrected": 0.0}


unique_id: 9a796db6e298d70996373174cace49b0
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 3104 characters]

key_value_pairs:
  {"name": "NH", "basis": "tight", "relativistic": 0.0, "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 13.107144117355347, "bsse_corrected": 0.0}


unique_id: 3431441a6058a200e00c0a5cb630f382
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 3104 characters]

key_value_pairs:
  {"name": "NH2", "basis": "tight", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 10.193159103393555, "bsse_corrected": 0.0}


unique_id: abdd7b75bb59beaba874e31bc39a03ba
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 3104 characters]

key_value_pairs:
  {"name": "NH2", "basis": "tight", "relativistic": 0.0, "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 51.660032033920288, "bsse_corrected": 0.0}


unique_id: 330188d627740ee2a8c31bc76174523c
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "NH3", "basis": "tight", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 9.307765007019043, "bsse_corrected": 0.0}


unique_id: f8b368c6a3ad3706f2e270f718dedde2
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "NH3", "basis": "tight", "relativistic": 0.0, "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 47.210420846939087, "bsse_corrected": 0.0}


unique_id: a638485a18e4eeffbad1dba47da2ddcd
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 3104 characters]

key_value_pairs:
  {"name": "OH", "basis": "tight", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 17.747115850448608, "bsse_corrected": 0.0}


unique_id: ba37954bccd73bb58c3f4fad6bd83618
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 3104 characters]

key_value_pairs:
  {"name": "OH", "basis": "tight", "relativistic": 0.0, "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 118.25626087188721, "bsse_corrected": 0.0}


unique_id: 406a0f3d2d2a2a0fe3db8bab6c13c234
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "H2O", "basis": "tight", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 6.5230851173400879, "bsse_corrected": 0.0}


unique_id: 8f8c902839691a52a085c403330cdae9
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "H2O", "basis": "tight", "relativistic": 0.0, "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 19.356464147567749, "bsse_corrected": 0.0}


unique_id: a419c799f04bd45816bdb2adc91d1c0b
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "HF", "basis": "tight", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 4.6804878711700439, "bsse_corrected": 0.0}


unique_id: 532bdfc99013558bc1affe1c55941b51
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "HF", "basis": "tight", "relativistic": 0.0, "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 9.3287580013275146, "bsse_corrected": 0.0}


unique_id: 6c552542d963779f1cb10e7fea03f22a
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "SiH2_s1A1d", "basis": "tight", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 7.1502029895782471, "bsse_corrected": 0.0}


unique_id: 67c8320692d57e9376ccb66c3b6f30d9
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "SiH2_s1A1d", "basis": "tight", "relativistic": 0.0, "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 50.222046136856079, "bsse_corrected": 0.0}


unique_id: 13c4bdfdc4048d2d33af04b524dc0aed
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 3104 characters]

key_value_pairs:
  {"name": "SiH3", "basis": "tight", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 14.15463399887085, "bsse_corrected": 0.0}


unique_id: c5936ef7de1449b85d2a2f85dc53530e
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 3104 characters]

key_value_pairs:
  {"name": "SiH3", "basis": "tight", "relativistic": 0.0, "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 71.309791088104248, "bsse_corrected": 0.0}


unique_id: b32687c9e4025c94a799532c08c34fb2
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "SiH4", "basis": "tight", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 11.398059129714966, "bsse_corrected": 0.0}


unique_id: 8644bc6d5a842e69589092a0749f3182
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "SiH4", "basis": "tight", "relativistic": 0.0, "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 23.032958030700684, "bsse_corrected": 0.0}


unique_id: 9514b46af4db03bbc243eda1dda98b0e
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 3104 characters]

key_value_pairs:
  {"name": "PH2", "basis": "tight", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 9.493290901184082, "bsse_corrected": 0.0}


unique_id: 3f446084c0d8b8789584f3f74a5b1b0b
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 3104 characters]

key_value_pairs:
  {"name": "PH2", "basis": "tight", "relativistic": 0.0, "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 62.008985042572021, "bsse_corrected": 0.0}


unique_id: 3b25e5cde39429b5a9257aa56731aed1
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "PH3", "basis": "tight", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 9.4690210819244385, "bsse_corrected": 0.0}


unique_id: ea7727b29358ed548514c055cd3ec394
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "PH3", "basis": "tight", "relativistic": 0.0, "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 59.407058000564575, "bsse_corrected": 0.0}


unique_id: 85f16a7510c5c9f3f5d29ffe5ecfdd14
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "SH2", "basis": "tight", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 7.1244359016418457, "bsse_corrected": 0.0}


unique_id: 129336c8b4f2bc78d9090664750bf41e
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "SH2", "basis": "tight", "relativistic": 0.0, "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 42.90244197845459, "bsse_corrected": 0.0}


unique_id: 5db1a540d98fbf6ec03642e4665b0205
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "HCl", "basis": "tight", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 4.9591109752655029, "bsse_corrected": 0.0}


unique_id: 434a2e6a71b1da8dd4ed6bfbb9a68fc9
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "HCl", "basis": "tight", "relativistic": 0.0, "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 9.7946319580078125, "bsse_corrected": 0.0}


unique_id: 9a5647d96baaf6d50f57f24790465da3
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "Li2", "basis": "tight", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 4.1063899993896484, "bsse_corrected": 0.0}


unique_id: 4cee39f7697d3d380f2909eb08e98856
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "Li2", "basis": "tight", "relativistic": 0.0, "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 8.1699419021606445, "bsse_corrected": 0.0}


unique_id: 998055dbde0e32a3ae7ea76c57eb8144
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "LiF", "basis": "tight", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 5.7806000709533691, "bsse_corrected": 0.0}


unique_id: 7269b1564a0669505fff18adfa723fcf
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "LiF", "basis": "tight", "relativistic": 0.0, "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 11.888433218002319, "bsse_corrected": 0.0}


unique_id: ce1cb8d597888fc9a05e7d356ae7c598
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "C2H2", "basis": "tight", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 12.768082857131958, "bsse_corrected": 0.0}


unique_id: a18a7ce552f224fca39a3ced0196229d
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "C2H2", "basis": "tight", "relativistic": 0.0, "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 62.667847871780396, "bsse_corrected": 0.0}


unique_id: fa30fdaaa4e1632a04a9c04326181e82
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "C2H4", "basis": "tight", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 21.358726978302002, "bsse_corrected": 0.0}


unique_id: a06deb30b4a93b63a9b9c8c00b328904
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "C2H4", "basis": "tight", "relativistic": 0.0, "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 107.5504150390625, "bsse_corrected": 0.0}


unique_id: 27066237a32bca2323cc843d13407fbd
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "C2H6", "basis": "tight", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 30.841724872589111, "bsse_corrected": 0.0}


unique_id: a0ca314a0e8f8eae193ebdcbacd23576
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "C2H6", "basis": "tight", "relativistic": 0.0, "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 249.39432382583618, "bsse_corrected": 0.0}


unique_id: 292b32ebba30a63cf1f5e0200c6f10e1
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 3104 characters]

key_value_pairs:
  {"name": "CN", "basis": "tight", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 11.934610843658447, "bsse_corrected": 0.0}


unique_id: 66d8605b0c39910263e5977ac3103ec3
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 3104 characters]

key_value_pairs:
  {"name": "CN", "basis": "tight", "relativistic": 0.0, "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 53.658715963363647, "bsse_corrected": 0.0}


unique_id: e244fba3b0f8cca4aaae11e4631bc0f0
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "HCN", "basis": "tight", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 8.6141757965087891, "bsse_corrected": 0.0}


unique_id: 3259ef96e35dd9360137428e942cccf2
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "HCN", "basis": "tight", "relativistic": 0.0, "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 47.927711009979248, "bsse_corrected": 0.0}


unique_id: 66ef622f999e8ad7a1e17d8072eaaaaa
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "CO", "basis": "tight", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 5.8834109306335449, "bsse_corrected": 0.0}


unique_id: 6710873cabd3b06aab1982b79ace9aeb
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "CO", "basis": "tight", "relativistic": 0.0, "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 23.453594923019409, "bsse_corrected": 0.0}


unique_id: 33d2ec23410e25330a47304f5595e22f
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 3104 characters]

key_value_pairs:
  {"name": "HCO", "basis": "tight", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 15.897628784179688, "bsse_corrected": 0.0}


unique_id: 3e12ee6dccb77363359d350e97709dde
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 3104 characters]

key_value_pairs:
  {"name": "HCO", "basis": "tight", "relativistic": 0.0, "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 177.94018006324768, "bsse_corrected": 0.0}


unique_id: 284b8ca5b078a19d3c0e8eab0b570bec
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "H2CO", "basis": "tight", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 13.10998797416687, "bsse_corrected": 0.0}


unique_id: 725e5c8bf144807dcb7ee4f65f5d02fb
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "H2CO", "basis": "tight", "relativistic": 0.0, "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 95.676182985305786, "bsse_corrected": 0.0}


unique_id: a60fa4a6e4f78870b4eba87ea1991f30
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "CH3OH", "basis": "tight", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 23.959915161132812, "bsse_corrected": 0.0}


unique_id: 215a2887376bebefc929248c1ede0ff7
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "CH3OH", "basis": "tight", "relativistic": 0.0, "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 287.9721941947937, "bsse_corrected": 0.0}


unique_id: a24a140a2ca7c4bffe6bc780aaf5bfbb
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "N2", "basis": "tight", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 5.2819118499755859, "bsse_corrected": 0.0}


unique_id: 5a0d20127a0329ecf05ae5657703999e
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "N2", "basis": "tight", "relativistic": 0.0, "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 20.935359954833984, "bsse_corrected": 0.0}


unique_id: d71f464da7582d0e3ac2230c7470d962
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "N2H4", "basis": "tight", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 22.722530126571655, "bsse_corrected": 0.0}


unique_id: 8666093b87c15e6a334ac78e219cb73b
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "N2H4", "basis": "tight", "relativistic": 0.0, "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 221.51998090744019, "bsse_corrected": 0.0}


unique_id: 194a8143ad30fa8006fef315b2577ed9
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 3104 characters]

key_value_pairs:
  {"name": "NO", "basis": "tight", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 34.781754016876221, "bsse_corrected": 0.0}


unique_id: 7940d1020e03033745b9e3d2fa39d1c1
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 3104 characters]

key_value_pairs:
  {"name": "NO", "basis": "tight", "relativistic": 0.0, "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 79.130485057830811, "bsse_corrected": 0.0}


unique_id: 5586a3c54651b3906d36111863d6dd9c
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 3104 characters]

key_value_pairs:
  {"name": "O2", "basis": "tight", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 7.6501541137695312, "bsse_corrected": 0.0}


unique_id: db686af4f6b6907e6e2157ffd5929f02
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 3104 characters]

key_value_pairs:
  {"name": "O2", "basis": "tight", "relativistic": 0.0, "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 31.811503887176514, "bsse_corrected": 0.0}


unique_id: 6b73db2b2adfd21ec435d7bcb9cc5b24
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "H2O2", "basis": "tight", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 13.356400966644287, "bsse_corrected": 0.0}


unique_id: 661ec805ca50b7a62ef79e40f70beb13
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "H2O2", "basis": "tight", "relativistic": 0.0, "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 151.65589809417725, "bsse_corrected": 0.0}


unique_id: be65e7ba00d5c221c9bd59046ff6b0e5
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "F2", "basis": "tight", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 5.5920579433441162, "bsse_corrected": 0.0}


unique_id: bf744ffdb75c4e47d0395e5dfeb7b8af
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "F2", "basis": "tight", "relativistic": 0.0, "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 11.258162021636963, "bsse_corrected": 0.0}


unique_id: 3d3f942a53f23a2ad2a8710ae0a04a6d
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "CO2", "basis": "tight", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 10.824863910675049, "bsse_corrected": 0.0}


unique_id: a795c13943318add1e5cbdde5fabbbbc
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "CO2", "basis": "tight", "relativistic": 0.0, "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 35.571434020996094, "bsse_corrected": 0.0}


unique_id: e5918076f20bba795138d8737129dd5a
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "Na2", "basis": "tight", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 4.0734391212463379, "bsse_corrected": 0.0}


unique_id: 16748e9ce2a84e05f59e625cba8d68b3
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "Na2", "basis": "tight", "relativistic": 0.0, "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 8.07977294921875, "bsse_corrected": 0.0}


unique_id: a0f6d2e0db805a23af0d1b66ae7ee029
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 3104 characters]

key_value_pairs:
  {"name": "Si2", "basis": "tight", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 8.805866003036499, "bsse_corrected": 0.0}


unique_id: 961f3f6a8cae2e1db6f6e17849fbf1c5
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 3104 characters]

key_value_pairs:
  {"name": "Si2", "basis": "tight", "relativistic": 0.0, "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 26.772624969482422, "bsse_corrected": 0.0}


unique_id: c2d012fd2c8724ada8d13e4805fb1dfb
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "P2", "basis": "tight", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 5.5010890960693359, "bsse_corrected": 0.0}


unique_id: f33758369b0223c799860512cc88e5f5
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "P2", "basis": "tight", "relativistic": 0.0, "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 11.574797868728638, "bsse_corrected": 0.0}


unique_id: 42e1deba69f01398233247120a1d6819
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 3104 characters]

key_value_pairs:
  {"name": "S2", "basis": "tight", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 11.178648948669434, "bsse_corrected": 0.0}


unique_id: 3cd39cb05f5d4807a4d5cb6ccd3a5682
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 3104 characters]

key_value_pairs:
  {"name": "S2", "basis": "tight", "relativistic": 0.0, "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 20.71831202507019, "bsse_corrected": 0.0}


unique_id: efeb652893fa3904e8cabd156d9d33a3
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "Cl2", "basis": "tight", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 6.7618849277496338, "bsse_corrected": 0.0}


unique_id: 6a88a7c01d12229b20000329387366cd
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "Cl2", "basis": "tight", "relativistic": 0.0, "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 13.284346103668213, "bsse_corrected": 0.0}


unique_id: d729e4f7ed5ab457cb4b7f90b9e19012
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "NaCl", "basis": "tight", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 6.4761009216308594, "bsse_corrected": 0.0}


unique_id: 8b18533544c02e6b88f7ad3c45ebeca5
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "NaCl", "basis": "tight", "relativistic": 0.0, "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 12.844014883041382, "bsse_corrected": 0.0}


unique_id: d8755ce84ae453d8c85e7a89759f8227
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "SiO", "basis": "tight", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 6.573948860168457, "bsse_corrected": 0.0}


unique_id: c134a5490100aa9b6c98a3bf3c8bddee
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "SiO", "basis": "tight", "relativistic": 0.0, "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 20.647006988525391, "bsse_corrected": 0.0}


unique_id: 98abebde4c0dc16a049551d7483d0bc4
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "CS", "basis": "tight", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 6.9099500179290771, "bsse_corrected": 0.0}


unique_id: 21ae5b8c7976c16343e67b6932fe53bd
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "CS", "basis": "tight", "relativistic": 0.0, "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 13.942839860916138, "bsse_corrected": 0.0}


unique_id: f79df96b9961e24b3ab328a2217c6dd3
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 3104 characters]

key_value_pairs:
  {"name": "SO", "basis": "tight", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 11.94305682182312, "bsse_corrected": 0.0}


unique_id: 611f565d52b38df1a9618c73d22ee203
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 3104 characters]

key_value_pairs:
  {"name": "SO", "basis": "tight", "relativistic": 0.0, "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 36.020757913589478, "bsse_corrected": 0.0}


unique_id: ef1f83fa70feea176d1f8a5d9558f504
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "ClF", "basis": "tight", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 7.6377739906311035, "bsse_corrected": 0.0}


unique_id: ecf0b0cf123c96a451b316fd9baef914
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "ClF", "basis": "tight", "relativistic": 0.0, "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 16.542796850204468, "bsse_corrected": 0.0}


unique_id: 9566861b6f31a28ebfecc85e2269aa5e
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "Si2H6", "basis": "tight", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 36.585664033889771, "bsse_corrected": 0.0}


unique_id: 70756526aacbf6cb266fa6cc3e04fcda
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "Si2H6", "basis": "tight", "relativistic": 0.0, "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 361.54200196266174, "bsse_corrected": 0.0}


unique_id: 4b044a485d3c0693e4f10de9fe3a0353
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "CH3Cl", "basis": "tight", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 22.277550935745239, "bsse_corrected": 0.0}


unique_id: 9b3842acd0fe46949a50953384e80d56
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "CH3Cl", "basis": "tight", "relativistic": 0.0, "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 127.99766421318054, "bsse_corrected": 0.0}


unique_id: 645f01e0cf715b12d07baf50ba36b82b
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "CH3SH", "basis": "tight", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 29.508769035339355, "bsse_corrected": 0.0}


unique_id: 3c5002b0126f75133d870ecc49b84702
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "CH3SH", "basis": "tight", "relativistic": 0.0, "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 354.57951498031616, "bsse_corrected": 0.0}


unique_id: 9fa400fa6cb904c30f0b935d1bbd74c9
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "HOCl", "basis": "tight", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 12.376628875732422, "bsse_corrected": 0.0}


unique_id: 954f671aec706f37394f54afb8033efd
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "HOCl", "basis": "tight", "relativistic": 0.0, "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 56.624361991882324, "bsse_corrected": 0.0}


unique_id: cc73e29df5d5b5c575286a2cc54646c4
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "SO2", "basis": "tight", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 11.526760101318359, "bsse_corrected": 0.0}


unique_id: fc34b5e7ac37e27f3ae898c1f2978df0
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "SO2", "basis": "tight", "relativistic": 0.0, "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 81.129945993423462, "bsse_corrected": 0.0}


unique_id: cb3ad2430c1173f57072d9944717c259
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "BF3", "basis": "tight", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 19.384702920913696, "bsse_corrected": 0.0}


unique_id: a02a365ff775776c3b4c22893e9b8d10
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "BF3", "basis": "tight", "relativistic": 0.0, "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 38.729870080947876, "bsse_corrected": 0.0}


unique_id: bbf82a7baf424b5a2aad95d116c3ac65
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "BCl3", "basis": "tight", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 25.820710182189941, "bsse_corrected": 0.0}


unique_id: e886c53db2fed73eabc65823d770303b
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "BCl3", "basis": "tight", "relativistic": 0.0, "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 74.235603809356689, "bsse_corrected": 0.0}


unique_id: cd31d9adadd8396f92a8a3cb40819019
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "AlF3", "basis": "tight", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 22.983276128768921, "bsse_corrected": 0.0}


unique_id: 5afbf4855a48117bcc4ba94d2efe1519
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "AlF3", "basis": "tight", "relativistic": 0.0, "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 47.921382904052734, "bsse_corrected": 0.0}


unique_id: 51e31973ba02c68d9474cb2ec8371a9d
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "AlCl3", "basis": "tight", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 24.047772884368896, "bsse_corrected": 0.0}


unique_id: 506760bbc8f222525ad3401d139d60e1
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "AlCl3", "basis": "tight", "relativistic": 0.0, "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 80.943067789077759, "bsse_corrected": 0.0}


unique_id: fc218c8a58b2b0716d2de214cef42f9b
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "CF4", "basis": "tight", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 36.065184831619263, "bsse_corrected": 0.0}


unique_id: 45146e9488ff141c7ee2c3609a38f75c
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "CF4", "basis": "tight", "relativistic": 0.0, "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 69.601812124252319, "bsse_corrected": 0.0}


unique_id: d49e5379785e67c1078daa88ee4586ba
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "CCl4", "basis": "tight", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 41.081644058227539, "bsse_corrected": 0.0}


unique_id: 96ec9ceaf2c91fbb09f999b692deab99
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "CCl4", "basis": "tight", "relativistic": 0.0, "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 124.59805798530579, "bsse_corrected": 0.0}


unique_id: fea1aa410966a99c3d585c01c760ddb6
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "OCS", "basis": "tight", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 13.409594058990479, "bsse_corrected": 0.0}


unique_id: 862f712d9aec4c383faa13729c9d3c55
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "OCS", "basis": "tight", "relativistic": 0.0, "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 58.250561952590942, "bsse_corrected": 0.0}


unique_id: 5b7dcb00a993908a8973ef3cc30f83bd
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "CS2", "basis": "tight", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 14.287339925765991, "bsse_corrected": 0.0}


unique_id: 84369739dd01e187aca5f0c92fc134e3
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "CS2", "basis": "tight", "relativistic": 0.0, "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 14.2742760181427, "bsse_corrected": 0.0}


unique_id: 3f5d454352b9947d308017fe7ac7357f
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "COF2", "basis": "tight", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 25.814368009567261, "bsse_corrected": 0.0}


unique_id: e8a001db588c07e61eabf317085dffff
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "COF2", "basis": "tight", "relativistic": 0.0, "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 120.06887197494507, "bsse_corrected": 0.0}


unique_id: b76567c45a7182a0a7c7c573d690f092
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "SiF4", "basis": "tight", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 34.860720157623291, "bsse_corrected": 0.0}


unique_id: a9e5c31d3eb37a0624509cb67656a4d3
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "SiF4", "basis": "tight", "relativistic": 0.0, "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 70.61016321182251, "bsse_corrected": 0.0}


unique_id: ee195ac02743962c4365c611b03f2362
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "SiCl4", "basis": "tight", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 37.716800928115845, "bsse_corrected": 0.0}


unique_id: e2cce290ce2af50af975ab640c2e32f3
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "SiCl4", "basis": "tight", "relativistic": 0.0, "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 125.3779411315918, "bsse_corrected": 0.0}


unique_id: 7ac720e30bfb80bca1a968f774be6724
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "N2O", "basis": "tight", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 13.578607797622681, "bsse_corrected": 0.0}


unique_id: 686465024f8cbccea5bf50d0c2ccbed0
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "N2O", "basis": "tight", "relativistic": 0.0, "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 71.00211501121521, "bsse_corrected": 0.0}


unique_id: c6609455a28f8e1beeb0418c0f783429
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "ClNO", "basis": "tight", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 15.418735027313232, "bsse_corrected": 0.0}


unique_id: 2cbff775a021da6e360647829e9e8f3b
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "ClNO", "basis": "tight", "relativistic": 0.0, "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 132.7171790599823, "bsse_corrected": 0.0}


unique_id: e416447cc72df4e43673032abf7bfaeb
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "NF3", "basis": "tight", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 22.965469121932983, "bsse_corrected": 0.0}


unique_id: 1a5d2392fbeb5d1045f633234982d397
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "NF3", "basis": "tight", "relativistic": 0.0, "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 119.14273190498352, "bsse_corrected": 0.0}


unique_id: 84fb3d81263cd0bcb44c633366c21dcb
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "PF3", "basis": "tight", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 24.727459907531738, "bsse_corrected": 0.0}


unique_id: 56342189ffc603cbef0f59fb826b075d
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "PF3", "basis": "tight", "relativistic": 0.0, "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 119.56443095207214, "bsse_corrected": 0.0}


unique_id: 5f0649be907aedcd46ae50c1063043e7
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "O3", "basis": "tight", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 12.263285160064697, "bsse_corrected": 0.0}


unique_id: 4b1011c146267dd3fd56caf7bca43868
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "O3", "basis": "tight", "relativistic": 0.0, "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 37.16697096824646, "bsse_corrected": 0.0}


unique_id: c0096ddf08cf521bac03c9e9e04508bb
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "F2O", "basis": "tight", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 13.544655084609985, "bsse_corrected": 0.0}


unique_id: 5eb4df90c76b50a558a4254aeca71a42
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "F2O", "basis": "tight", "relativistic": 0.0, "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 69.754911184310913, "bsse_corrected": 0.0}


unique_id: ff0d901086927094bc600e540b1f29b2
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "ClF3", "basis": "tight", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 28.481469869613647, "bsse_corrected": 0.0}


unique_id: 55aade97e55c26f98712d0b02455ac07
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "ClF3", "basis": "tight", "relativistic": 0.0, "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 222.94738483428955, "bsse_corrected": 0.0}


unique_id: dd9d025246b3e5527247e60d576b055f
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "C2F4", "basis": "tight", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 57.308206796646118, "bsse_corrected": 0.0}


unique_id: 472665b22b9d98b6edf9f4e60681df3d
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "C2F4", "basis": "tight", "relativistic": 0.0, "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 320.69604897499084, "bsse_corrected": 0.0}


unique_id: 88e5deb85e292f7b08197fb727974546
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "C2Cl4", "basis": "tight", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 69.002393960952759, "bsse_corrected": 0.0}


unique_id: 2e9172e4be6a8913fab19300a2739e61
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "C2Cl4", "basis": "tight", "relativistic": 0.0, "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 211.32350397109985, "bsse_corrected": 0.0}


unique_id: d7470956b84895fbbf09817715a247b4
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "CF3CN", "basis": "tight", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 65.542141199111938, "bsse_corrected": 0.0}


unique_id: b4f808f4f4fe6729b6788c570707f31c
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "CF3CN", "basis": "tight", "relativistic": 0.0, "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 387.36267995834351, "bsse_corrected": 0.0}


unique_id: fdc43188ff6d8ceb25e0207c62c50d9d
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "C3H4_C3v", "basis": "tight", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 37.581575155258179, "bsse_corrected": 0.0}


unique_id: 46f5e77467045c047933ef078a3a9885
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "C3H4_C3v", "basis": "tight", "relativistic": 0.0, "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 301.28885698318481, "bsse_corrected": 0.0}


unique_id: ecc44431b8eeffee87e4941c26a7ec23
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "C3H4_D2d", "basis": "tight", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 34.661232948303223, "bsse_corrected": 0.0}


unique_id: 933bbbc0d4bf2bea389cde175dc6faf1
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "C3H4_D2d", "basis": "tight", "relativistic": 0.0, "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 278.12093615531921, "bsse_corrected": 0.0}


unique_id: 5feac6d903a7b644dbb862e8890c1146
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "C3H4_C2v", "basis": "tight", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 35.454349994659424, "bsse_corrected": 0.0}


unique_id: 2c620f83deb94b791f178ac872e1bc41
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "C3H4_C2v", "basis": "tight", "relativistic": 0.0, "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 351.93143081665039, "bsse_corrected": 0.0}


unique_id: f0b07c698805d3afc26498ac54f6cc95
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "C3H6_Cs", "basis": "tight", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 54.676564931869507, "bsse_corrected": 0.0}


unique_id: 5ad50b3d2a62b260133b8ae8de6d44fe
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "C3H6_Cs", "basis": "tight", "relativistic": 0.0, "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 928.29158616065979, "bsse_corrected": 0.0}


unique_id: 7ea8dabacefd9b5a5818cec559bffd21
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "C3H6_D3h", "basis": "tight", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 49.446506977081299, "bsse_corrected": 0.0}


unique_id: 27ea435bd46a183156ff5d617b343c97
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "C3H6_D3h", "basis": "tight", "relativistic": 0.0, "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 298.51366710662842, "bsse_corrected": 0.0}


unique_id: c5158959837e26058f60bf860fedf651
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "C3H8", "basis": "tight", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 76.589709997177124, "bsse_corrected": 0.0}


unique_id: 59dbcdb4d12fb6000c0a87f6a06ca7bc
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "C3H8", "basis": "tight", "relativistic": 0.0, "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 1429.8097550868988, "bsse_corrected": 0.0}


unique_id: 95281a74be0aef7149b1b0a68a0f2cda
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "butadiene", "basis": "tight", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 76.433634996414185, "bsse_corrected": 0.0}


unique_id: 4490976aec120df93f050f64a1c0ba03
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "butadiene", "basis": "tight", "relativistic": 0.0, "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 947.32620716094971, "bsse_corrected": 0.0}


unique_id: dbb1c4ad15d466728898668a840cb53c
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "2-butyne", "basis": "tight", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 69.051657199859619, "bsse_corrected": 0.0}


unique_id: 1473216809fb180e723a9b0ae91180a6
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "2-butyne", "basis": "tight", "relativistic": 0.0, "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 562.53737211227417, "bsse_corrected": 0.0}


unique_id: ba05d38b6bc0852bdf1eedfb49697b1d
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "methylenecyclopropane", "basis": "tight", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 82.345749139785767, "bsse_corrected": 0.0}


unique_id: a4be0e2cc8fae735e979edd4dcf3f648
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "methylenecyclopropane", "basis": "tight", "relativistic": 0.0, "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 650.44085597991943, "bsse_corrected": 0.0}


unique_id: 23b6ee3139fe67fa2b445626daa4f1ac
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "bicyclobutane", "basis": "tight", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 81.521149873733521, "bsse_corrected": 0.0}


unique_id: 5a3bacf04a441dae32165d9f5d53f2ed
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "bicyclobutane", "basis": "tight", "relativistic": 0.0, "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 1190.1829459667206, "bsse_corrected": 0.0}


unique_id: c3d35d493d2c8222e995643eb83ca553
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "cyclobutene", "basis": "tight", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 71.969806909561157, "bsse_corrected": 0.0}


unique_id: 55d0778b12baebde21ec12e908c847da
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "cyclobutene", "basis": "tight", "relativistic": 0.0, "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 570.21039605140686, "bsse_corrected": 0.0}


unique_id: 8da5c6004119d666294c291758c2c19a
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "cyclobutane", "basis": "tight", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 93.021509885787964, "bsse_corrected": 0.0}


unique_id: 9bec06161e99a2448592b361bfbd9522
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "isobutene", "basis": "tight", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 106.87257409095764, "bsse_corrected": 0.0}


unique_id: 589daafcdade860f1405e6413a7bac72
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "trans-butane", "basis": "tight", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 121.41674613952637, "bsse_corrected": 0.0}


unique_id: 3d15a9e31bc2e00c36bda0d25b7cb917
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "isobutane", "basis": "tight", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 161.64698195457458, "bsse_corrected": 0.0}


unique_id: b7dd6664128a9f7af41117dffce3e00a
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "cyclobutane", "basis": "tight", "relativistic": 0.0, "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 1729.794764995575, "bsse_corrected": 0.0}


unique_id: 9b72ca121c3a64d24935576a1448c859
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "isobutene", "basis": "tight", "relativistic": 0.0, "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 1283.4465010166168, "bsse_corrected": 0.0}


unique_id: 9166ed307c0ed7b4193a1743a05ec510
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "C5H8", "basis": "tight", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 143.45328497886658, "bsse_corrected": 0.0}


unique_id: 26d23e60f69fd5cb333f234f692072ac
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "C6H6", "basis": "tight", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 130.27765417098999, "bsse_corrected": 0.0}


unique_id: 8fea99f7a945cbca4f9e98e34646908c
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "H2CF2", "basis": "tight", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 27.771634817123413, "bsse_corrected": 0.0}


unique_id: 668a63429e2cd8e09541fad07ce0bf12
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "C6H6", "basis": "tight", "relativistic": 0.0, "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 510.7405891418457, "bsse_corrected": 0.0}


unique_id: 5d497b8f8db894b204597c940ad704be
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "HCF3", "basis": "tight", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 32.521703958511353, "bsse_corrected": 0.0}


unique_id: 12295e5341619522daedc0d9cb7d29a3
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "H2CF2", "basis": "tight", "relativistic": 0.0, "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 186.96796083450317, "bsse_corrected": 0.0}


unique_id: 84c9ea0121c27786e8af7bf069403d50
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "HCF3", "basis": "tight", "relativistic": 0.0, "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 125.10106992721558, "bsse_corrected": 0.0}


unique_id: 58649cf7395ae3b2b2ec269b144bc872
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "H2CCl2", "basis": "tight", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 29.935374021530151, "bsse_corrected": 0.0}


unique_id: f5d0e22540a3b07b5bd089a7fed0c734
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "HCCl3", "basis": "tight", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 35.733096122741699, "bsse_corrected": 0.0}


unique_id: 7b0954d93c7880ed346b2f793dea8c68
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "HCCl3", "basis": "tight", "relativistic": 0.0, "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 139.60161209106445, "bsse_corrected": 0.0}


unique_id: 9621ccf328cffb708e889a8086164a87
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "H3CNH2", "basis": "tight", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 30.302458047866821, "bsse_corrected": 0.0}


unique_id: ff54773909d6bc6767a1614ece8b4647
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "H2CCl2", "basis": "tight", "relativistic": 0.0, "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 233.86280703544617, "bsse_corrected": 0.0}


unique_id: 8e8a54e36de2ec5ec2a980df43bc2f31
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "CH3CN", "basis": "tight", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 31.456983089447021, "bsse_corrected": 0.0}


unique_id: d93bef7e76fd6452e5e9fbccbe8f36c3
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "trans-butane", "basis": "tight", "relativistic": 0.0, "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 2184.9028959274292, "bsse_corrected": 0.0}


unique_id: a4bd4cc5bae38eea3b8a31f7f75c3eca
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "C5H8", "basis": "tight", "relativistic": 0.0, "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 1165.768904209137, "bsse_corrected": 0.0}


unique_id: cafee795cb62b6e5d7127958995f8716
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "CH3NO2", "basis": "tight", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 54.14762806892395, "bsse_corrected": 0.0}


unique_id: 2e4beda5b74cef446eb7b91a7dd35db7
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "CH3ONO", "basis": "tight", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 55.571497917175293, "bsse_corrected": 0.0}


unique_id: 44e253899011b0c20f9cef79e1180780
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "CH3CN", "basis": "tight", "relativistic": 0.0, "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 290.48755192756653, "bsse_corrected": 0.0}


unique_id: 648439bed478291eec484a297b3d4539
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "CH3SiH3", "basis": "tight", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 37.332581043243408, "bsse_corrected": 0.0}


unique_id: 976b45ed7d4922a3359f4ee8774c7b58
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "H3CNH2", "basis": "tight", "relativistic": 0.0, "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 429.0333468914032, "bsse_corrected": 0.0}


unique_id: 451ca9ae8402920c04eaec5d82c833d9
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "HCOOH", "basis": "tight", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 25.808822870254517, "bsse_corrected": 0.0}


unique_id: 81f4daed305a64e3194fa957c5b904f2
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "CH3NO2", "basis": "tight", "relativistic": 0.0, "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 530.29913592338562, "bsse_corrected": 0.0}


unique_id: 542a24173ba81c5daa71d5e8f63f9d4a
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "HCOOH", "basis": "tight", "relativistic": 0.0, "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 305.109295129776, "bsse_corrected": 0.0}


unique_id: c39d5d7a785f7b3c6964277367800594
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "CH3SiH3", "basis": "tight", "relativistic": 0.0, "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 369.93914985656738, "bsse_corrected": 0.0}


unique_id: fea0ac22037405d82721634a4c676ccc
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "HCOOCH3", "basis": "tight", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 82.812265157699585, "bsse_corrected": 0.0}


unique_id: 85a636c27491589f4535d3dce33a5bbc
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "CH2NHCH2", "basis": "tight", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 44.747736930847168, "bsse_corrected": 0.0}


unique_id: 2aaddd1dd41a2128463280bfb8878abe
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "CH3CONH2", "basis": "tight", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 82.767890930175781, "bsse_corrected": 0.0}


unique_id: ce6730892ef7ef76c284d782f8fa7ba3
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "isobutane", "basis": "tight", "relativistic": 0.0, "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 2636.2659878730774, "bsse_corrected": 0.0}


unique_id: b3bde78abc27c93668d3eda1aac0e95e
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "NCCN", "basis": "tight", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 20.761075973510742, "bsse_corrected": 0.0}


unique_id: b79f479d30db59abd4625b4a825d8ef0
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "NCCN", "basis": "tight", "relativistic": 0.0, "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 85.082067012786865, "bsse_corrected": 0.0}


unique_id: abe680fcde7750c98aec1d9de7708d2e
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "CH3ONO", "basis": "tight", "relativistic": 0.0, "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 928.93709778785706, "bsse_corrected": 0.0}


unique_id: 6773f07b4754dcb40ea30c00b8171872
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "C2H6NH", "basis": "tight", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 73.898324012756348, "bsse_corrected": 0.0}


unique_id: b48b750ad6adb73183538441bb72b1a3
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "CH3CH2NH2", "basis": "tight", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 76.288701057434082, "bsse_corrected": 0.0}


unique_id: d13e278d7c587303746f9d7d45108610
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "CH2NHCH2", "basis": "tight", "relativistic": 0.0, "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 413.13534212112427, "bsse_corrected": 0.0}


unique_id: f80f47e0e9457602bc07deb2e84ae4d6
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "H2CCO", "basis": "tight", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 26.933863162994385, "bsse_corrected": 0.0}


unique_id: 8529f2c6140476836451d3d03147a58d
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "H2CCO", "basis": "tight", "relativistic": 0.0, "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 173.89018392562866, "bsse_corrected": 0.0}


unique_id: 58d45f7be816821137e0fba335b0a8f0
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "CH2OCH2", "basis": "tight", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 38.956264019012451, "bsse_corrected": 0.0}


unique_id: c84299ff3265fad3dce6f88242ab800e
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "CH2OCH2", "basis": "tight", "relativistic": 0.0, "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 233.19306612014771, "bsse_corrected": 0.0}


unique_id: d23adcb998e12541bd7c377d677cf3c3
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "CH3CHO", "basis": "tight", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 39.44347095489502, "bsse_corrected": 0.0}


unique_id: 5b2a1a2e50ddae05bc900950a6673fa2
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "HCOOCH3", "basis": "tight", "relativistic": 0.0, "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 1122.3564729690552, "bsse_corrected": 0.0}


unique_id: c9b3561865273a102b10d578fa566884
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "OCHCHO", "basis": "tight", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 39.336879014968872, "bsse_corrected": 0.0}


unique_id: 5d67e3f95e42ddce3aa1443db985dfda
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "OCHCHO", "basis": "tight", "relativistic": 0.0, "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 313.20432114601135, "bsse_corrected": 0.0}


unique_id: 3c6ff04ae129abf86a691c13f6bc191d
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "CH3CH2OH", "basis": "tight", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 65.547083854675293, "bsse_corrected": 0.0}


unique_id: 921cb7ceb0f08707eb4d12e6b5dc33a9
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "CH3CHO", "basis": "tight", "relativistic": 0.0, "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 671.68089604377747, "bsse_corrected": 0.0}


unique_id: 4356d1590687be8f8e860a588aa79954
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "CH3OCH3", "basis": "tight", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 60.062128782272339, "bsse_corrected": 0.0}


unique_id: 9090ab799d556e656bd0c2b8a871d778
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "CH3CH2NH2", "basis": "tight", "relativistic": 0.0, "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 1525.4451768398285, "bsse_corrected": 0.0}


unique_id: 3fb038dd9b4683a9f97b76a37e43554e
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "CH2SCH2", "basis": "tight", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 41.499445199966431, "bsse_corrected": 0.0}


unique_id: 7af439555e5bf374fdb7801b9b0c34c7
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "C2H6NH", "basis": "tight", "relativistic": 0.0, "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 1753.3520400524139, "bsse_corrected": 0.0}


unique_id: 587540cfa47daeff1abf7522a0ecc44f
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "C2H6SO", "basis": "tight", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 92.78876805305481, "bsse_corrected": 0.0}


unique_id: 97419a7a2f1a3e84fe00c5531bc896cf
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "CH2SCH2", "basis": "tight", "relativistic": 0.0, "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 335.02034497261047, "bsse_corrected": 0.0}


unique_id: ba7bbeeab49e19e88feaed4be3b2609a
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "CH3CH2SH", "basis": "tight", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 67.970675945281982, "bsse_corrected": 0.0}


unique_id: 4f58b920a9a4d4d82431aad188639152
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "CH3OCH3", "basis": "tight", "relativistic": 0.0, "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 906.45677495002747, "bsse_corrected": 0.0}


unique_id: a4f0d37712d9ad545a4a31a0d113876a
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "CH3SCH3", "basis": "tight", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 68.099136114120483, "bsse_corrected": 0.0}


unique_id: 3bf5e3c431478097df8aab3c28fc0121
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "CH3CH2OH", "basis": "tight", "relativistic": 0.0, "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 1178.8446011543274, "bsse_corrected": 0.0}


unique_id: 761eff7100dff47168a9b59baae43753
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "H2CCHF", "basis": "tight", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 33.850391149520874, "bsse_corrected": 0.0}


unique_id: 3f7208fdb415d5ca99622f3b7f63204b
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "H2CCHF", "basis": "tight", "relativistic": 0.0, "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 379.49985098838806, "bsse_corrected": 0.0}


unique_id: 615d011e0728820b6c12da58c1df5ee8
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "CH3CH2Cl", "basis": "tight", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 50.795742988586426, "bsse_corrected": 0.0}


unique_id: 479cc6d231964849d0fb591c7162bce0
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "CH3CH2SH", "basis": "tight", "relativistic": 0.0, "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 817.64436888694763, "bsse_corrected": 0.0}


unique_id: 689f04b57543f1ea7cd3bd800908ee5e
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "H2CCHCl", "basis": "tight", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 39.417246103286743, "bsse_corrected": 0.0}


unique_id: e125aafd4c3e33c0bb08e9fcc55e9e40
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "H2CCHCl", "basis": "tight", "relativistic": 0.0, "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 481.5901951789856, "bsse_corrected": 0.0}


unique_id: f03b2d14a301fa6c32d56e89a126b1f5
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "CH3SCH3", "basis": "tight", "relativistic": 0.0, "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 1096.3753900527954, "bsse_corrected": 0.0}


unique_id: 2ee8c5c56fa82e2f3e229357e2e80bf4
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "H2CCHCN", "basis": "tight", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 49.555763006210327, "bsse_corrected": 0.0}


unique_id: 7cc5764fd763ecc6ae8490de71ef656d
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "CH3COCH3", "basis": "tight", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 84.349073171615601, "bsse_corrected": 0.0}


unique_id: 2e4b71898ab786e0987e8eef762adfa4
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "CH3CH2Cl", "basis": "tight", "relativistic": 0.0, "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 766.53307580947876, "bsse_corrected": 0.0}


unique_id: a0f779df2308f4bb0e98eecbf69b21dc
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "CH3COOH", "basis": "tight", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 65.98841404914856, "bsse_corrected": 0.0}


unique_id: 4a310835b1538c1ae9ee56bb14d0e08f
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "C2H6SO", "basis": "tight", "relativistic": 0.0, "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 2424.0394339561462, "bsse_corrected": 0.0}


unique_id: f3c5df3c256a97bcf8c731a6fa260927
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "CH3COF", "basis": "tight", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 55.632054090499878, "bsse_corrected": 0.0}


unique_id: 77bf1f64526c0e5fc0c76338a0317958
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "H2CCHCN", "basis": "tight", "relativistic": 0.0, "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 1047.0236859321594, "bsse_corrected": 0.0}


unique_id: d2df7baed91d2f1ca50ac8f84f6c7d08
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "CH3COCH3", "basis": "tight", "relativistic": 0.0, "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 995.50562906265259, "bsse_corrected": 0.0}


unique_id: 1a033c64e397350aac4c89ffdd71f77d
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "CH3COCl", "basis": "tight", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 54.845010995864868, "bsse_corrected": 0.0}


unique_id: a4ba7705016970e016f98e851f9e1cd1
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "C3H7Cl", "basis": "tight", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 98.650817155838013, "bsse_corrected": 0.0}


unique_id: 9ec37a34f6d18f02f19750d676be76ab
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "CH3COOH", "basis": "tight", "relativistic": 0.0, "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 926.30800294876099, "bsse_corrected": 0.0}


unique_id: c7ed4b315c7a4e3dd50d7dd7ab7643a5
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "C2H6CHOH", "basis": "tight", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 125.34239912033081, "bsse_corrected": 0.0}


unique_id: 3d899f8b21369e6370ec749077b8c7f7
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "CH3COF", "basis": "tight", "relativistic": 0.0, "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 545.15867590904236, "bsse_corrected": 0.0}


unique_id: b176ddcbdfaa1355b270cb6cd4a3ded1
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "CH3CH2OCH3", "basis": "tight", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 106.83713889122009, "bsse_corrected": 0.0}


unique_id: a71643466304f7d0efa8ac3ed83a2ab3
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "CH3COCl", "basis": "tight", "relativistic": 0.0, "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 884.81835913658142, "bsse_corrected": 0.0}


unique_id: 81cc41f1165cab5c6ad3b9ed4ede543e
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "C3H9N", "basis": "tight", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 122.74169182777405, "bsse_corrected": 0.0}


unique_id: 6ceebfa9fad8d59a07cf1aad0c4fdfc0
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "CH3CONH2", "basis": "tight", "relativistic": 0.0, "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 6488.3148899078369, "bsse_corrected": 0.0}


unique_id: ed14a8872f6c426963e0d6f1c8a3ea28
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "C4H4O", "basis": "tight", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 79.288570880889893, "bsse_corrected": 0.0}


unique_id: c912e84844ab8430aacad4ec6d3dc16f
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "C3H7Cl", "basis": "tight", "relativistic": 0.0, "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 2563.1062338352203, "bsse_corrected": 0.0}


unique_id: 5bd56fe2abad7a706ebcdd5ad0f389bf
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "C4H4S", "basis": "tight", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 98.443633079528809, "bsse_corrected": 0.0}


unique_id: 859570dabdd6ec50929d7c8a6742d24f
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "C4H4O", "basis": "tight", "relativistic": 0.0, "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 1154.0243151187897, "bsse_corrected": 0.0}


unique_id: eccffe49da38e26fba049b211da35678
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "C4H4NH", "basis": "tight", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 96.290303945541382, "bsse_corrected": 0.0}


unique_id: dc244b357c77cf3a47bf08cb37b27cb2
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "C3H9N", "basis": "tight", "relativistic": 0.0, "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 2295.1083009243011, "bsse_corrected": 0.0}


unique_id: c9843c02613fff8e2093db25980c8cee
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "CH3CH2OCH3", "basis": "tight", "relativistic": 0.0, "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 2848.0924401283264, "bsse_corrected": 0.0}


unique_id: b96c324c90e1cc9622f2a4b27d4fad59
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "H2", "basis": "tight", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 2.748898983001709, "bsse_corrected": 0.0}


unique_id: f7e1d461e5d9e95d9674e9e95481a79e
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "H2", "basis": "tight", "relativistic": 0.0, "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 5.3956160545349121, "bsse_corrected": 0.0}


unique_id: 48c45b5bad42b4e3d0dc36af27988d22
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 3104 characters]

key_value_pairs:
  {"name": "CCH", "basis": "tight", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 29.278140783309937, "bsse_corrected": 0.0}


unique_id: b5b411fb24c1cbdbab48e299a162205d
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "C5H5N", "basis": "tight", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 141.36703705787659, "bsse_corrected": 0.0}


unique_id: ad294f0a3bc4fae821de0a92d0d34992
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 3104 characters]

key_value_pairs:
  {"name": "CCH", "basis": "tight", "relativistic": 0.0, "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 104.29493188858032, "bsse_corrected": 0.0}


unique_id: 2daaa76e1a4ea800058bb4805b5f2bd5
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 3104 characters]

key_value_pairs:
  {"name": "C2H3", "basis": "tight", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 30.150637149810791, "bsse_corrected": 0.0}


unique_id: 6af2443404cbb95441e15b089518afd5
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "C4H4S", "basis": "tight", "relativistic": 0.0, "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 975.1481671333313, "bsse_corrected": 0.0}


unique_id: e80ebe227d1698fdb1767bb96ba190d1
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 3104 characters]

key_value_pairs:
  {"name": "CH3CO", "basis": "tight", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 53.20846700668335, "bsse_corrected": 0.0}


unique_id: 8a9f62de8162e97282e9ed51a3cbbfbb
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "C2H6CHOH", "basis": "tight", "relativistic": 0.0, "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 3621.7009990215302, "bsse_corrected": 0.0}


unique_id: 3010fc431c046f601efded5abeb5e9f7
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 3104 characters]

key_value_pairs:
  {"name": "H2COH", "basis": "tight", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 29.447474002838135, "bsse_corrected": 0.0}


unique_id: 2a7526f9ae16efc3f6f595cd4409025c
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "C4H4NH", "basis": "tight", "relativistic": 0.0, "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 962.40712785720825, "bsse_corrected": 0.0}


unique_id: a8eadba16e41bcabda348e5cfd37d015
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 3104 characters]

key_value_pairs:
  {"name": "CH3O", "basis": "tight", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 28.744699954986572, "bsse_corrected": 0.0}


unique_id: 822300b2af0b5127e2312780881f1d38
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 3104 characters]

key_value_pairs:
  {"name": "C2H3", "basis": "tight", "relativistic": 0.0, "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 468.29117798805237, "bsse_corrected": 0.0}


unique_id: 88844e79d9dfd3933f0dd2bb44283a28
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 3104 characters]

key_value_pairs:
  {"name": "CH3CH2O", "basis": "tight", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 89.387710094451904, "bsse_corrected": 0.0}


unique_id: aa294e50fbf9f803c11374feffeb182e
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 3104 characters]

key_value_pairs:
  {"name": "CH3O", "basis": "tight", "relativistic": 0.0, "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 344.07858896255493, "bsse_corrected": 0.0}


unique_id: 894cddc2f74d559acfb65c36b2e81635
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 3104 characters]

key_value_pairs:
  {"name": "CH3S", "basis": "tight", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 32.263272047042847, "bsse_corrected": 0.0}


unique_id: 57db283cfe9facd808440517d38c8e84
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2831 characters]

key_value_pairs:
  {"name": "C5H5N", "basis": "tight", "relativistic": 0.0, "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 975.8261661529541, "bsse_corrected": 0.0}


unique_id: 9a99ac49b4a6f67b2227eb918aa1fe4c
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 3104 characters]

key_value_pairs:
  {"name": "H2COH", "basis": "tight", "relativistic": 0.0, "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 599.48663806915283, "bsse_corrected": 0.0}


unique_id: 23cbbf217932ff03c3e98f8a3b6a423a
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 3104 characters]

key_value_pairs:
  {"name": "C2H5", "basis": "tight", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 47.386816024780273, "bsse_corrected": 0.0}


unique_id: 9f3517e2cb9717fd2855fb4ab5b951d8
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 3104 characters]

key_value_pairs:
  {"name": "C3H7", "basis": "tight", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 98.007971048355103, "bsse_corrected": 0.0}


unique_id: 9d310e2e926bcc1209708ac3fb16b007
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 3104 characters]

key_value_pairs:
  {"name": "CH3S", "basis": "tight", "relativistic": 0.0, "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 390.08438801765442, "bsse_corrected": 0.0}


unique_id: 53d209d2da252923e2e35e7d13c2d530
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 3104 characters]

key_value_pairs:
  {"name": "CH3CO", "basis": "tight", "relativistic": 0.0, "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 1133.2925620079041, "bsse_corrected": 0.0}


unique_id: 725e7b45b344e030bc0c6924ae71f0a5
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 3104 characters]

key_value_pairs:
  {"name": "NO2", "basis": "tight", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 19.856879949569702, "bsse_corrected": 0.0}


unique_id: bd08c5c58aadfa11a3828b7038e9b6a8
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 3104 characters]

key_value_pairs:
  {"name": "C3H9C", "basis": "tight", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 202.17314386367798, "bsse_corrected": 0.0}


unique_id: fbb107deca4ec5509850217859c7a084
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 3104 characters]

key_value_pairs:
  {"name": "NO2", "basis": "tight", "relativistic": 0.0, "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 147.73663115501404, "bsse_corrected": 0.0}


unique_id: 9e3da700c354d73559d9c6906a5ce137
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 3104 characters]

key_value_pairs:
  {"name": "C2H5", "basis": "tight", "relativistic": 0.0, "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 650.00985813140869, "bsse_corrected": 0.0}


unique_id: f055301ab0b61761352da203c438c2b7
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 3104 characters]

key_value_pairs:
  {"name": "CH3CH2O", "basis": "tight", "relativistic": 0.0, "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 1486.3603928089142, "bsse_corrected": 0.0}


unique_id: fe7ccd53a997f40ee411b28fda162f70
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 3104 characters]

key_value_pairs:
  {"name": "C3H7", "basis": "tight", "relativistic": 0.0, "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 4104.2248740196228, "bsse_corrected": 0.0}


unique_id: ee7ea0d609b722c11b11ec91d76998af
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 3104 characters]

key_value_pairs:
  {"name": "C3H9C", "basis": "tight", "relativistic": 0.0, "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 4209.3829619884491, "bsse_corrected": 0.0}


unique_id: 1612ba115ce84cfa53bfe27a608eb45f
username: dulak
calculator: aims
data: null
calculator_parameters:
  "\"\\\"\\\\\\\"\\\\\\\\\\\\\\\"\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"{\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"charge_mix_param\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": 0.00050000000000000001, \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"sc_iter_limit\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": 19000, \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"KS_method\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"elpa\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\", \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"relativistic\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"none\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\", \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"xc\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"pbe\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\", \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"override_illconditioning\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": true, \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"species_dir\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"/home/niflheim2/dulak/projects/dcdft/aims/tight\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\", \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"sc_accuracy_eev\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": 5.0000000000000002e-05, \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"sc_accuracy_rho\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": 5.0000000000000002e-05, \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"sc_accuracy_forces\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": 0.001, \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"occupation_type\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": [\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"gaussian\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\", 4.9999999999999998e-07], \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"spin\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"collinear\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\", \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"basis_threshold\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": 1.0000000000000001e-05, \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"override_relativity\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": true}\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"\\\\\\\\\\\\\\\"\\\\\\\"\\\"\""

key_value_pairs:
  {"name": "C", "basis": "tight", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 6.5986490249633789, "bsse_corrected": 0.0}


unique_id: 168a195e00b5a436eb7a1f727c05f5b4
username: dulak
calculator: aims
data: null
calculator_parameters:
  "\"\\\"\\\\\\\"\\\\\\\\\\\\\\\"\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"{\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"charge_mix_param\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": 0.0001, \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"sc_iter_limit\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": 19000, \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"KS_method\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"elpa\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\", \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"relativistic\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"none\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\", \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"xc\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"pbe\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\", \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"override_illconditioning\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": true, \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"species_dir\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"/home/niflheim2/dulak/projects/dcdft/aims/tight\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\", \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"sc_accuracy_eev\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": 5.0000000000000002e-05, \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"sc_accuracy_rho\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": 0.0001, \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"sc_accuracy_forces\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": 0.001, \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"occupation_type\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": [\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"gaussian\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\", 4.9999999999999998e-07], \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"spin\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"collinear\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\", \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"basis_threshold\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": 1.0000000000000001e-05, \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"override_relativity\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": true}\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"\\\\\\\\\\\\\\\"\\\\\\\"\\\"\""

key_value_pairs:
  {"name": "F", "basis": "tight", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 686.12824201583862, "bsse_corrected": 0.0}


unique_id: 1e9713a3cf6eb7cad731c2a7e93d2302
username: dulak
calculator: aims
data: null
calculator_parameters:
  "\"\\\"\\\\\\\"\\\\\\\\\\\\\\\"\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"{\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"charge_mix_param\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": 0.0001, \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"sc_iter_limit\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": 19000, \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"KS_method\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"elpa\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\", \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"relativistic\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"none\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\", \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"xc\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"pbe\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\", \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"override_illconditioning\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": true, \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"species_dir\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"/home/niflheim2/dulak/projects/dcdft/aims/tight\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\", \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"sc_accuracy_eev\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": 5.0000000000000002e-05, \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"sc_accuracy_rho\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": 0.0001, \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"sc_accuracy_forces\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": 0.001, \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"occupation_type\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": [\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"gaussian\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\", 4.9999999999999998e-07], \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"spin\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"collinear\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\", \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"basis_threshold\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": 1.0000000000000001e-05, \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"override_relativity\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": true}\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"\\\\\\\\\\\\\\\"\\\\\\\"\\\"\""

key_value_pairs:
  {"name": "Si", "basis": "tight", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 14.113893985748291, "bsse_corrected": 0.0}


unique_id: 295525795e2defc5f76d1a74c51edbaa
username: dulak
calculator: aims
data: null
calculator_parameters:
  "\"\\\"\\\\\\\"\\\\\\\\\\\\\\\"\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"{\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"charge_mix_param\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": 0.0001, \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"sc_iter_limit\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": 19000, \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"KS_method\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"elpa\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\", \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"relativistic\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"none\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\", \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"xc\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"pbe\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\", \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"override_illconditioning\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": true, \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"species_dir\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"/home/niflheim2/dulak/projects/dcdft/aims/tight\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\", \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"sc_accuracy_eev\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": 5.0000000000000002e-05, \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"sc_accuracy_rho\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": 0.0001, \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"sc_accuracy_forces\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": 0.001, \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"occupation_type\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": [\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"gaussian\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\", 4.9999999999999998e-07], \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"spin\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"collinear\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\", \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"basis_threshold\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": 1.0000000000000001e-05, \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"override_relativity\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": true}\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"\\\\\\\\\\\\\\\"\\\\\\\"\\\"\""

key_value_pairs:
  {"name": "S", "basis": "tight", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 69.917099952697754, "bsse_corrected": 0.0}


unique_id: 72ada92bdd60fd086df74ac955778dd6
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 3105 characters]

key_value_pairs:
  {"name": "Cl", "basis": "tight", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 268.66129016876221, "bsse_corrected": 0.0}


unique_id: 8426ef79b74a1856b118cf1f8518b91e
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 3105 characters]

key_value_pairs:
  {"name": "Al", "basis": "tight", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 72.578373908996582, "bsse_corrected": 0.0}


unique_id: b4cdcf147d709f6c4325a0ee4490e515
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 3104 characters]

key_value_pairs:
  {"name": "SiH2_s3B1d", "basis": "tight", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 4.7046809196472168, "bsse_corrected": 0.0}


unique_id: 189ced04b79cf9cdd864cd2be2ccd267
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 3104 characters]

key_value_pairs:
  {"name": "SiH2_s3B1d", "basis": "tight", "relativistic": 0.0, "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 25.296824932098389, "bsse_corrected": 0.0}


unique_id: bc6ae9e3a7d97dce652519e40d41be85
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 3105 characters]

key_value_pairs:
  {"name": "O", "basis": "tight", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 48.431894063949585, "bsse_corrected": 0.0}


unique_id: 47db449571db253b226268d9445bdb0c
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 3105 characters]

key_value_pairs:
  {"name": "B", "basis": "tight", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 8.4998009204864502, "bsse_corrected": 0.0}


unique_id: 1e17dd38295ac5dd0ef936f03f754327
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 3105 characters]

key_value_pairs:
  {"name": "CH", "basis": "tight", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 31.198510885238647, "bsse_corrected": 0.0}


unique_id: 4f5b46f349ae9f01eda4638310c6f9cb
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 3105 characters]

key_value_pairs:
  {"name": "CH", "basis": "tight", "relativistic": 0.0, "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 127.22424793243408, "bsse_corrected": 0.0}


unique_id: 80aeabde23e70240b4c8bcd8bf17a82a
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 3105 characters]

key_value_pairs:
  {"name": "ClO", "basis": "tight", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 52.19967794418335, "bsse_corrected": 0.0}


unique_id: f62519478a56fb3e22cbdd014d0ccd76
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 3105 characters]

key_value_pairs:
  {"name": "ClO", "basis": "tight", "relativistic": 0.0, "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 764.62124085426331, "bsse_corrected": 0.0}


unique_id: 7e8eaf985245bfb8a594d9d9f346720c
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 3105 characters]

key_value_pairs:
  {"name": "SH", "basis": "tight", "relativistic": 0.0, "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 84.03027606010437, "bsse_corrected": 0.0}


unique_id: a8f056e57bf8dd32175ce8f92e13d89d
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 3105 characters]

key_value_pairs:
  {"name": "SH", "basis": "tight", "relativistic": 0.0, "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 78.71809720993042, "bsse_corrected": 0.0}


unique_id: 99b3785ae158e5dfe474bdb8aecb1c2a
username: dulak
calculator: aims
data: null
calculator_parameters:
  "\"\\\"\\\\\\\"\\\\\\\\\\\\\\\"\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"{\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"charge_mix_param\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": 0.00050000000000000001, \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"sc_iter_limit\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": 19000, \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"KS_method\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"elpa\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\", \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"relativistic\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": [\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"atomic_zora\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\", \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"scalar\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"], \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"xc\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"pbe\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\", \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"override_illconditioning\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": true, \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"species_dir\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"/home/niflheim2/dulak/projects/dcdft/aims/tight\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\", \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"sc_accuracy_eev\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": 0.001, \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"sc_accuracy_rho\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": 0.0001, \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"sc_accuracy_forces\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": 0.001, \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"occupation_type\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": [\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"gaussian\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\", 1.0000000000000001e-05], \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"spin\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"collinear\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\", \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"basis_threshold\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": 1.0000000000000001e-05, \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"override_relativity\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": true}\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"\\\\\\\\\\\\\\\"\\\\\\\"\\\"\""

key_value_pairs:
  {"name": "H", "basis": "tight", "relativistic": "atomic_zora", "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 2.6489591598510742, "bsse_corrected": 0.0}


unique_id: 413c1e772a0119b311468eec46fc28a9
username: dulak
calculator: aims
data: null
calculator_parameters:
  "\"\\\"\\\\\\\"\\\\\\\\\\\\\\\"\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"{\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"charge_mix_param\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": 0.00050000000000000001, \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"sc_iter_limit\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": 19000, \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"KS_method\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"elpa\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\", \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"relativistic\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": [\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"atomic_zora\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\", \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"scalar\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"], \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"xc\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"pbe\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\", \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"override_illconditioning\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": true, \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"species_dir\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"/home/niflheim2/dulak/projects/dcdft/aims/tight\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\", \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"sc_accuracy_eev\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": 0.001, \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"sc_accuracy_rho\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": 0.0001, \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"sc_accuracy_forces\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": 0.001, \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"occupation_type\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": [\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"gaussian\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\", 1.0000000000000001e-05], \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"spin\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"collinear\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\", \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"basis_threshold\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": 1.0000000000000001e-05, \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"override_relativity\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": true}\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"\\\\\\\\\\\\\\\"\\\\\\\"\\\"\""

key_value_pairs:
  {"name": "Li", "basis": "tight", "relativistic": "atomic_zora", "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 2.173008918762207, "bsse_corrected": 0.0}


unique_id: 5c0cc2655a9474a584127a59dfb6166f
username: dulak
calculator: aims
data: null
calculator_parameters:
  "\"\\\"\\\\\\\"\\\\\\\\\\\\\\\"\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"{\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"charge_mix_param\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": 0.00050000000000000001, \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"sc_iter_limit\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": 19000, \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"KS_method\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"elpa\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\", \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"relativistic\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": [\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"atomic_zora\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\", \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"scalar\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"], \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"xc\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"pbe\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\", \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"override_illconditioning\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": true, \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"species_dir\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"/home/niflheim2/dulak/projects/dcdft/aims/tight\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\", \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"sc_accuracy_eev\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": 0.001, \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"sc_accuracy_rho\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": 0.0001, \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"sc_accuracy_forces\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": 0.001, \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"occupation_type\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": [\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"gaussian\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\", 1.0000000000000001e-05], \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"basis_threshold\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": 1.0000000000000001e-05, \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"override_relativity\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": true}\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"\\\\\\\\\\\\\\\"\\\\\\\"\\\"\""

key_value_pairs:
  {"name": "Be", "basis": "tight", "relativistic": "atomic_zora", "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 1.8869540691375732, "bsse_corrected": 0.0}


unique_id: 992eb1ec5331aa3e2d914627a490e917
username: dulak
calculator: aims
data: null
calculator_parameters:
  "\"\\\"\\\\\\\"\\\\\\\\\\\\\\\"\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"{\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"charge_mix_param\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": 0.00050000000000000001, \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"sc_iter_limit\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": 19000, \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"KS_method\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"elpa\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\", \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"relativistic\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": [\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"atomic_zora\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\", \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"scalar\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"], \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"xc\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"pbe\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\", \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"override_illconditioning\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": true, \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"species_dir\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"/home/niflheim2/dulak/projects/dcdft/aims/tight\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\", \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"sc_accuracy_eev\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": 5.0000000000000002e-05, \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"sc_accuracy_rho\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": 5.0000000000000002e-05, \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"sc_accuracy_forces\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": 0.001, \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"occupation_type\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": [\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"gaussian\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\", 1.0000000000000001e-05], \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"spin\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"collinear\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\", \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"basis_threshold\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": 1.0000000000000001e-05, \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"override_relativity\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": true}\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"\\\\\\\\\\\\\\\"\\\\\\\"\\\"\""

key_value_pairs:
  {"name": "N", "basis": "tight", "relativistic": "atomic_zora", "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 2.7486000061035156, "bsse_corrected": 0.0}


unique_id: e11cfdde2e9a594d3bab363bc30432b5
username: dulak
calculator: aims
data: null
calculator_parameters:
  "\"\\\"\\\\\\\"\\\\\\\\\\\\\\\"\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"{\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"charge_mix_param\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": 0.00050000000000000001, \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"sc_iter_limit\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": 19000, \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"KS_method\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"elpa\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\", \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"relativistic\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": [\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"atomic_zora\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\", \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"scalar\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"], \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"xc\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"pbe\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\", \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"override_illconditioning\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": true, \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"species_dir\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"/home/niflheim2/dulak/projects/dcdft/aims/tight\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\", \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"sc_accuracy_eev\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": 0.001, \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"sc_accuracy_rho\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": 0.0001, \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"sc_accuracy_forces\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": 0.001, \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"occupation_type\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": [\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"gaussian\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\", 1.0000000000000001e-05], \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"spin\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"collinear\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\", \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"basis_threshold\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": 1.0000000000000001e-05, \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"override_relativity\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": true}\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"\\\\\\\\\\\\\\\"\\\\\\\"\\\"\""

key_value_pairs:
  {"name": "Na", "basis": "tight", "relativistic": "atomic_zora", "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 2.308643102645874, "bsse_corrected": 0.0}


unique_id: a6ec1fe69b1dd81b0b039f736092ab63
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 3249 characters]

key_value_pairs:
  {"name": "P", "basis": "tight", "relativistic": "atomic_zora", "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 2.8120260238647461, "bsse_corrected": 0.0}


unique_id: 449cace72ef5e80b31db3ef2390b17c4
username: dulak
calculator: aims
data: null
calculator_parameters:
  "\"\\\"\\\\\\\"\\\\\\\\\\\\\\\"\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"{\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"charge_mix_param\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": 0.00050000000000000001, \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"sc_iter_limit\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": 19000, \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"KS_method\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"elpa\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\", \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"relativistic\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": [\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"atomic_zora\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\", \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"scalar\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"], \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"xc\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"pbe\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\", \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"override_illconditioning\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": true, \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"species_dir\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"/home/niflheim2/dulak/projects/dcdft/aims/tight\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\", \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"sc_accuracy_eev\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": 0.001, \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"sc_accuracy_rho\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": 0.0001, \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"sc_accuracy_forces\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": 0.001, \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"occupation_type\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": [\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"gaussian\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\", 1.0000000000000001e-05], \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"basis_threshold\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": 1.0000000000000001e-05, \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"override_relativity\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": true}\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"\\\\\\\\\\\\\\\"\\\\\\\"\\\"\""

key_value_pairs:
  {"name": "LiH", "basis": "tight", "relativistic": "atomic_zora", "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 3.9486551284790039, "bsse_corrected": 0.0}


unique_id: 918fe530ad4833826047f93a8222263a
username: dulak
calculator: aims
data: null
calculator_parameters:
  "\"\\\"\\\\\\\"\\\\\\\\\\\\\\\"\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"{\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"charge_mix_param\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": 0.00050000000000000001, \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"sc_iter_limit\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": 19000, \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"KS_method\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"elpa\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\", \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"relativistic\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": [\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"atomic_zora\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\", \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"scalar\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"], \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"xc\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"pbe\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\", \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"override_illconditioning\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": true, \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"species_dir\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"/home/niflheim2/dulak/projects/dcdft/aims/tight\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\", \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"sc_accuracy_eev\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": 0.001, \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"sc_accuracy_rho\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": 0.0001, \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"sc_accuracy_forces\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": 0.001, \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"occupation_type\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": [\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"gaussian\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\", 1.0000000000000001e-05], \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"basis_threshold\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": 1.0000000000000001e-05, \\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"override_relativity\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\": true}\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\"\\\\\\\\\\\\\\\"\\\\\\\"\\\"\""

key_value_pairs:
  {"name": "LiH", "basis": "tight", "relativistic": "atomic_zora", "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 12.048254013061523, "bsse_corrected": 0.0}


unique_id: ab6c081e8dbfa1c552611680c001df98
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 3249 characters]

key_value_pairs:
  {"name": "BeH", "basis": "tight", "relativistic": "atomic_zora", "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 5.3553400039672852, "bsse_corrected": 0.0}


unique_id: 82f08e05f38a58faf092dd3dda2e358e
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 3249 characters]

key_value_pairs:
  {"name": "BeH", "basis": "tight", "relativistic": "atomic_zora", "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 10.974898099899292, "bsse_corrected": 0.0}


unique_id: 4a3683c46f9ef4640322a2893b45ece1
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 3249 characters]

key_value_pairs:
  {"name": "CH2_s3B1d", "basis": "tight", "relativistic": "atomic_zora", "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 10.805547952651978, "bsse_corrected": 0.0}


unique_id: 9c933e6adf58efd51b9b53240ffdce23
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 3249 characters]

key_value_pairs:
  {"name": "CH2_s3B1d", "basis": "tight", "relativistic": "atomic_zora", "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 58.750637054443359, "bsse_corrected": 0.0}


unique_id: ba91d8f442a92123fd73e4e67eb69d4e
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2976 characters]

key_value_pairs:
  {"name": "CH2_s1A1d", "basis": "tight", "relativistic": "atomic_zora", "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 6.7769629955291748, "bsse_corrected": 0.0}


unique_id: 87dc039ddbe3feac76c351cc83632bd2
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2976 characters]

key_value_pairs:
  {"name": "CH2_s1A1d", "basis": "tight", "relativistic": "atomic_zora", "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 33.412330865859985, "bsse_corrected": 0.0}


unique_id: ee9c686de6ac45641bc3cba4bc92b6be
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 3249 characters]

key_value_pairs:
  {"name": "CH3", "basis": "tight", "relativistic": "atomic_zora", "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 14.985685110092163, "bsse_corrected": 0.0}


unique_id: 9b452b3b8bf3b703ab7b01c2d424dc16
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 3249 characters]

key_value_pairs:
  {"name": "CH3", "basis": "tight", "relativistic": "atomic_zora", "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 29.729117155075073, "bsse_corrected": 0.0}


unique_id: 43eb4fed2564a1246eb391361da3e727
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2976 characters]

key_value_pairs:
  {"name": "CH4", "basis": "tight", "relativistic": "atomic_zora", "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 11.553945064544678, "bsse_corrected": 0.0}


unique_id: ca193208a5cd4215e1269e859c5256e2
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2976 characters]

key_value_pairs:
  {"name": "CH4", "basis": "tight", "relativistic": "atomic_zora", "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 22.267070055007935, "bsse_corrected": 0.0}


unique_id: b6a62f3383223bcf68a042502f0c4194
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 3249 characters]

key_value_pairs:
  {"name": "NH", "basis": "tight", "relativistic": "atomic_zora", "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 7.3302719593048096, "bsse_corrected": 0.0}


unique_id: 900cfd7807174740e76b903f85abb270
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 3249 characters]

key_value_pairs:
  {"name": "NH", "basis": "tight", "relativistic": "atomic_zora", "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 13.478116989135742, "bsse_corrected": 0.0}


unique_id: 45fb08b7dd4958161677d1ca3cc24733
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 3249 characters]

key_value_pairs:
  {"name": "NH2", "basis": "tight", "relativistic": "atomic_zora", "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 10.561255931854248, "bsse_corrected": 0.0}


unique_id: c77e83d5c9edf226e905530c67002f67
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 3249 characters]

key_value_pairs:
  {"name": "NH2", "basis": "tight", "relativistic": "atomic_zora", "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 52.634661912918091, "bsse_corrected": 0.0}


unique_id: 414e280f927cfe0f8d8fdf28e66b5942
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2976 characters]

key_value_pairs:
  {"name": "NH3", "basis": "tight", "relativistic": "atomic_zora", "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 9.4432239532470703, "bsse_corrected": 0.0}


unique_id: db93dc8789464bea5bacc5a93f2ef8e6
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2976 characters]

key_value_pairs:
  {"name": "NH3", "basis": "tight", "relativistic": "atomic_zora", "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 37.854427099227905, "bsse_corrected": 0.0}


unique_id: b96fc1dae04e179156af59a7e973c350
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 3249 characters]

key_value_pairs:
  {"name": "OH", "basis": "tight", "relativistic": "atomic_zora", "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 18.796432971954346, "bsse_corrected": 0.0}


unique_id: 778ef3694bef05dabf0bbe192487c0c1
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 3249 characters]

key_value_pairs:
  {"name": "OH", "basis": "tight", "relativistic": "atomic_zora", "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 99.9535071849823, "bsse_corrected": 0.0}


unique_id: 407c013494ff724adb463e11799d7df5
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2976 characters]

key_value_pairs:
  {"name": "H2O", "basis": "tight", "relativistic": "atomic_zora", "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 6.4449710845947266, "bsse_corrected": 0.0}


unique_id: 89cef11cb057a4cb4e8da714a3e4e7a7
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2976 characters]

key_value_pairs:
  {"name": "H2O", "basis": "tight", "relativistic": "atomic_zora", "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 19.255815982818604, "bsse_corrected": 0.0}


unique_id: 2c020af1ef0e83d209a6693d07399b4a
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2976 characters]

key_value_pairs:
  {"name": "HF", "basis": "tight", "relativistic": "atomic_zora", "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 4.6755201816558838, "bsse_corrected": 0.0}


unique_id: 7da8eba95008ea726f3baf615f052717
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2976 characters]

key_value_pairs:
  {"name": "HF", "basis": "tight", "relativistic": "atomic_zora", "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 9.538870096206665, "bsse_corrected": 0.0}


unique_id: 8b37518604cd7784d7bddc6ab68f1888
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2976 characters]

key_value_pairs:
  {"name": "SiH2_s1A1d", "basis": "tight", "relativistic": "atomic_zora", "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 6.7113211154937744, "bsse_corrected": 0.0}


unique_id: 8b936122144dd9dda9becd38a209a7f8
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2976 characters]

key_value_pairs:
  {"name": "SiH2_s1A1d", "basis": "tight", "relativistic": "atomic_zora", "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 50.959616899490356, "bsse_corrected": 0.0}


unique_id: fdbb9d451c3e6560e7f2fb4427389656
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 3249 characters]

key_value_pairs:
  {"name": "SiH3", "basis": "tight", "relativistic": "atomic_zora", "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 14.311913967132568, "bsse_corrected": 0.0}


unique_id: 682e8e56dd7f9a049741d32386d77400
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 3249 characters]

key_value_pairs:
  {"name": "SiH3", "basis": "tight", "relativistic": "atomic_zora", "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 88.943639993667603, "bsse_corrected": 0.0}


unique_id: 6326805c00763df79e514d3b498076a1
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2976 characters]

key_value_pairs:
  {"name": "SiH4", "basis": "tight", "relativistic": "atomic_zora", "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 11.715468883514404, "bsse_corrected": 0.0}


unique_id: 379e2a19888b068bf8082ac65960a61f
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2976 characters]

key_value_pairs:
  {"name": "SiH4", "basis": "tight", "relativistic": "atomic_zora", "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 23.282189846038818, "bsse_corrected": 0.0}


unique_id: 9c03bf23e7139335a0453ae6cf3101be
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 3249 characters]

key_value_pairs:
  {"name": "PH2", "basis": "tight", "relativistic": "atomic_zora", "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 9.8894798755645752, "bsse_corrected": 0.0}


unique_id: e87ea3e237ebddd0a6029b5fabb9ec2f
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 3249 characters]

key_value_pairs:
  {"name": "PH2", "basis": "tight", "relativistic": "atomic_zora", "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 62.596096992492676, "bsse_corrected": 0.0}


unique_id: 7f7fb4b4735c4858248787bfcb17e5eb
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2976 characters]

key_value_pairs:
  {"name": "PH3", "basis": "tight", "relativistic": "atomic_zora", "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 9.5919151306152344, "bsse_corrected": 0.0}


unique_id: 7be7ee4d853f7032f717d412388b22b1
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2976 characters]

key_value_pairs:
  {"name": "PH3", "basis": "tight", "relativistic": "atomic_zora", "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 60.833337068557739, "bsse_corrected": 0.0}


unique_id: 9beb87516c38291e84d18a0d9bf4c3ba
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2976 characters]

key_value_pairs:
  {"name": "SH2", "basis": "tight", "relativistic": "atomic_zora", "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 7.2660460472106934, "bsse_corrected": 0.0}


unique_id: 520fdc66eef5a5b69463a5c827043d8c
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2976 characters]

key_value_pairs:
  {"name": "SH2", "basis": "tight", "relativistic": "atomic_zora", "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 45.460281133651733, "bsse_corrected": 0.0}


unique_id: b115f0d6d071684220ba22cc70ebb191
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2976 characters]

key_value_pairs:
  {"name": "HCl", "basis": "tight", "relativistic": "atomic_zora", "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 4.983781099319458, "bsse_corrected": 0.0}


unique_id: 7ec745431775da3448fce348f071aeff
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2976 characters]

key_value_pairs:
  {"name": "HCl", "basis": "tight", "relativistic": "atomic_zora", "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 10.036623954772949, "bsse_corrected": 0.0}


unique_id: d29dd4cf731cf242948dc27aaaa8f263
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2976 characters]

key_value_pairs:
  {"name": "Li2", "basis": "tight", "relativistic": "atomic_zora", "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 4.1776421070098877, "bsse_corrected": 0.0}


unique_id: 31e29c1ecdba59572132f85d1d2b640c
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2976 characters]

key_value_pairs:
  {"name": "Li2", "basis": "tight", "relativistic": "atomic_zora", "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 8.4738888740539551, "bsse_corrected": 0.0}


unique_id: c2f8787a4177416652ce1190be515c7c
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2976 characters]

key_value_pairs:
  {"name": "LiF", "basis": "tight", "relativistic": "atomic_zora", "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 5.8413689136505127, "bsse_corrected": 0.0}


unique_id: 200aeed6f1ccf923c3c678ced77784ec
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2976 characters]

key_value_pairs:
  {"name": "LiF", "basis": "tight", "relativistic": "atomic_zora", "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 12.051785945892334, "bsse_corrected": 0.0}


unique_id: e6805ceb898fae1b99c01d78a1bc2066
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2976 characters]

key_value_pairs:
  {"name": "C2H2", "basis": "tight", "relativistic": "atomic_zora", "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 12.673177003860474, "bsse_corrected": 0.0}


unique_id: 807a371e3a9f31cb20025416399ddebc
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2976 characters]

key_value_pairs:
  {"name": "C2H2", "basis": "tight", "relativistic": "atomic_zora", "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 63.274801969528198, "bsse_corrected": 0.0}


unique_id: 419a7a876cd848399d390d9b45d08fa2
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2976 characters]

key_value_pairs:
  {"name": "C2H4", "basis": "tight", "relativistic": "atomic_zora", "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 22.225358963012695, "bsse_corrected": 0.0}


unique_id: 222a55c14999badb6075e1313b57f93f
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2976 characters]

key_value_pairs:
  {"name": "C2H4", "basis": "tight", "relativistic": "atomic_zora", "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 103.12518715858459, "bsse_corrected": 0.0}


unique_id: 5744e6ccab22bb65b8f58570093964e3
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2976 characters]

key_value_pairs:
  {"name": "C2H6", "basis": "tight", "relativistic": "atomic_zora", "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 31.238524913787842, "bsse_corrected": 0.0}


unique_id: 5477012a3621789231c6403933bb83a2
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2976 characters]

key_value_pairs:
  {"name": "C2H6", "basis": "tight", "relativistic": "atomic_zora", "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 252.48353815078735, "bsse_corrected": 0.0}


unique_id: 9abf3ee69fb0b70dfdc9b39f016b8b29
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 3249 characters]

key_value_pairs:
  {"name": "CN", "basis": "tight", "relativistic": "atomic_zora", "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 11.012328863143921, "bsse_corrected": 0.0}


unique_id: ebd0a8c13a5bc911ca1997899f7decdc
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 3249 characters]

key_value_pairs:
  {"name": "CN", "basis": "tight", "relativistic": "atomic_zora", "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 50.211071014404297, "bsse_corrected": 0.0}


unique_id: 1668bdb5e1343b1dc1577df9c129d036
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2976 characters]

key_value_pairs:
  {"name": "HCN", "basis": "tight", "relativistic": "atomic_zora", "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 10.538382053375244, "bsse_corrected": 0.0}


unique_id: fd59c16b24c9b29d9b7baff6db347665
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2976 characters]

key_value_pairs:
  {"name": "HCN", "basis": "tight", "relativistic": "atomic_zora", "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 48.12495493888855, "bsse_corrected": 0.0}


unique_id: 94a359435bf3e295567ac8aa1d76157a
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2976 characters]

key_value_pairs:
  {"name": "CO", "basis": "tight", "relativistic": "atomic_zora", "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 5.9850900173187256, "bsse_corrected": 0.0}


unique_id: fd544d4d821f902b1351116cc7c60d1a
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2976 characters]

key_value_pairs:
  {"name": "CO", "basis": "tight", "relativistic": "atomic_zora", "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 23.924722909927368, "bsse_corrected": 0.0}


unique_id: c60fd9652b194bef715c5a88cf4938d0
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 3249 characters]

key_value_pairs:
  {"name": "HCO", "basis": "tight", "relativistic": "atomic_zora", "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 16.071515083312988, "bsse_corrected": 0.0}


unique_id: d22577bb3413a200ed71aee618419e26
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 3249 characters]

key_value_pairs:
  {"name": "HCO", "basis": "tight", "relativistic": "atomic_zora", "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 164.49958896636963, "bsse_corrected": 0.0}


unique_id: b3a2dfe8878a9157f4efbf6de426094b
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2976 characters]

key_value_pairs:
  {"name": "H2CO", "basis": "tight", "relativistic": "atomic_zora", "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 13.35561203956604, "bsse_corrected": 0.0}


unique_id: bbae90bb67a82d62f2a4ad05827b73c9
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2976 characters]

key_value_pairs:
  {"name": "H2CO", "basis": "tight", "relativistic": "atomic_zora", "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 93.81679892539978, "bsse_corrected": 0.0}


unique_id: ec7a12840abd084adfa29546d85920a3
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2976 characters]

key_value_pairs:
  {"name": "CH3OH", "basis": "tight", "relativistic": "atomic_zora", "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 30.873227119445801, "bsse_corrected": 0.0}


unique_id: 96115df790f045084f3fff2e578702ac
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2976 characters]

key_value_pairs:
  {"name": "CH3OH", "basis": "tight", "relativistic": "atomic_zora", "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 265.76558089256287, "bsse_corrected": 0.0}


unique_id: bed3051ab42e6ce96c883ceedd589a7d
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2976 characters]

key_value_pairs:
  {"name": "N2", "basis": "tight", "relativistic": "atomic_zora", "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 5.5219302177429199, "bsse_corrected": 0.0}


unique_id: c49a018effdb07509ba2636e0441d5f7
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2976 characters]

key_value_pairs:
  {"name": "N2", "basis": "tight", "relativistic": "atomic_zora", "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 21.646672010421753, "bsse_corrected": 0.0}


unique_id: d32b916450a7d13320e453fd69563bcc
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2976 characters]

key_value_pairs:
  {"name": "N2H4", "basis": "tight", "relativistic": "atomic_zora", "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 23.134649038314819, "bsse_corrected": 0.0}


unique_id: faac1f9a94e627efa32980b262a32039
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2976 characters]

key_value_pairs:
  {"name": "N2H4", "basis": "tight", "relativistic": "atomic_zora", "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 224.68427014350891, "bsse_corrected": 0.0}


unique_id: e6e29627b8ad7ab086ad0ead687e1d65
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 3249 characters]

key_value_pairs:
  {"name": "NO", "basis": "tight", "relativistic": "atomic_zora", "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 26.023906946182251, "bsse_corrected": 0.0}


unique_id: 3bf4f7572b44d0efe6ef9a8c8ca5fc13
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 3249 characters]

key_value_pairs:
  {"name": "NO", "basis": "tight", "relativistic": "atomic_zora", "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 148.69627499580383, "bsse_corrected": 0.0}


unique_id: 2d563c12df00257ccb43d27c549d3388
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 3249 characters]

key_value_pairs:
  {"name": "O2", "basis": "tight", "relativistic": "atomic_zora", "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 7.4734089374542236, "bsse_corrected": 0.0}


unique_id: 6a93ae8973aeadd0453dc6411ab1208b
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 3249 characters]

key_value_pairs:
  {"name": "O2", "basis": "tight", "relativistic": "atomic_zora", "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 32.438934087753296, "bsse_corrected": 0.0}


unique_id: 2d4620724abb674de3de912671ce8615
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2976 characters]

key_value_pairs:
  {"name": "H2O2", "basis": "tight", "relativistic": "atomic_zora", "relaxed": false, "calculator_version": 81213.0, "project": "g2", "time": 12.272343873977661, "bsse_corrected": 0.0}


unique_id: 22014bbd4892d161254f2ce8f638d839
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 2976 characters]

key_value_pairs:
  {"name": "H2O2", "basis": "tight", "relativistic": "atomic_zora", "relaxed": true, "calculator_version": 81213.0, "project": "g2", "time": 155.58262991905212, "bsse_corrected": 0.0}


