# systems

unique_id: a22c065dae1797c21c1d581248dc5dbb
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 370 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Pt", "basis": "really_tight", "relativistic": "scalar", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 3124.9206569194794, "x": 0.98999999999999999, "basis_threshold": 1.0000000000000001e-05}


unique_id: ceac40e2d288e6d83c1945c2063ded3a
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 370 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Au", "basis": "really_tight", "relativistic": "scalar", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 2894.7050819396973, "x": 0.98999999999999999, "basis_threshold": 1.0000000000000001e-05}


unique_id: d99e05f80c034dcc1f3eab53b9be8ba1
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 370 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Ir", "basis": "really_tight", "relativistic": "scalar", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 2823.6557869911194, "x": 1.0, "basis_threshold": 1.0000000000000001e-05}


unique_id: 1474567f8143878a3c7962d133d6f901
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 370 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Pt", "basis": "really_tight", "relativistic": "scalar", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 2995.8897302150726, "x": 1.0, "basis_threshold": 1.0000000000000001e-05}


unique_id: 932d27f341a204aa3e51404995c85f5c
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 370 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Au", "basis": "really_tight", "relativistic": "scalar", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 2819.7992179393768, "x": 1.0, "basis_threshold": 1.0000000000000001e-05}


unique_id: c35b96b34e16cf2f5489532a83a0dc03
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 370 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Ir", "basis": "really_tight", "relativistic": "scalar", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 2697.7447190284729, "x": 1.01, "basis_threshold": 1.0000000000000001e-05}


unique_id: d34dbb6d340c33449a3845fe6fc5c095
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 370 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Pt", "basis": "really_tight", "relativistic": "scalar", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 2698.4886648654938, "x": 1.01, "basis_threshold": 1.0000000000000001e-05}


unique_id: 36008dbc392b9aa978c7b36923b38872
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 370 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Au", "basis": "really_tight", "relativistic": "scalar", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 2754.7485349178314, "x": 1.01, "basis_threshold": 1.0000000000000001e-05}


unique_id: 980fd416412801a259e89db52a217793
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 370 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Ir", "basis": "really_tight", "relativistic": "scalar", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 2425.0490880012512, "x": 1.02, "basis_threshold": 1.0000000000000001e-05}


unique_id: 1c21181491c1b86f71fa0e4057faabf3
username: dulak
calculator: aims
data: null
calculator_parameters:
  {"kpts": [24, 24, 28], "charge_mix_param": 0.01, "KS_method": "elpa", "relativistic": ["atomic_zora", "scalar"], "occupation_type": ["gaussian", 0.01], "override_illconditioning": true, "basis_threshold": 1.0000000000000001e-05, "sc_accuracy_rho": 0.0001, "xc": "pbe", "species_dir": "/home/niflheim2/dulak/projects/dcdft/aims/really_tight", "override_relativity": true}

key_value_pairs:
  {"kptdensity": 16.0, "name": "Hg", "basis": "really_tight", "relativistic": "scalar", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 372.03696990013123, "x": 0.97999999999999998, "basis_threshold": 1.0000000000000001e-05}


unique_id: 703b888d078797c7dbae9fef1de167bb
username: dulak
calculator: aims
data: null
calculator_parameters:
  {"kpts": [24, 24, 28], "charge_mix_param": 0.01, "KS_method": "elpa", "relativistic": ["atomic_zora", "scalar"], "occupation_type": ["gaussian", 0.01], "override_illconditioning": true, "basis_threshold": 1.0000000000000001e-05, "sc_accuracy_rho": 0.0001, "xc": "pbe", "species_dir": "/home/niflheim2/dulak/projects/dcdft/aims/really_tight", "override_relativity": true}

key_value_pairs:
  {"kptdensity": 16.0, "name": "Hg", "basis": "really_tight", "relativistic": "scalar", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 365.15985107421875, "x": 0.98999999999999999, "basis_threshold": 1.0000000000000001e-05}


unique_id: 42f619e4157733d466ee92d4908acfa5
username: dulak
calculator: aims
data: null
calculator_parameters:
  {"kpts": [24, 24, 28], "charge_mix_param": 0.01, "KS_method": "elpa", "relativistic": ["atomic_zora", "scalar"], "occupation_type": ["gaussian", 0.01], "override_illconditioning": true, "basis_threshold": 1.0000000000000001e-05, "sc_accuracy_rho": 0.0001, "xc": "pbe", "species_dir": "/home/niflheim2/dulak/projects/dcdft/aims/really_tight", "override_relativity": true}

key_value_pairs:
  {"kptdensity": 16.0, "name": "Hg", "basis": "really_tight", "relativistic": "scalar", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 351.80652785301208, "x": 1.0, "basis_threshold": 1.0000000000000001e-05}


unique_id: 1d614ca5be658e9bf59f9a0297fa895f
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 370 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Pt", "basis": "really_tight", "relativistic": "scalar", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 2652.5033740997314, "x": 1.02, "basis_threshold": 1.0000000000000001e-05}


unique_id: a9e8120cf1e170ff700721cf6587ca16
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 370 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Au", "basis": "really_tight", "relativistic": "scalar", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 2270.594419002533, "x": 1.02, "basis_threshold": 1.0000000000000001e-05}


unique_id: 49f35ff60c4e451afd9a88497871283a
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 370 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Hg", "basis": "really_tight", "relativistic": "scalar", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 311.19397497177124, "x": 1.01, "basis_threshold": 1.0000000000000001e-05}


unique_id: 30a009c2467d7ebb9c09df8b6d20d204
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 370 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Tl", "basis": "really_tight", "relativistic": "scalar", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 427.34621214866638, "x": 0.97999999999999998, "basis_threshold": 1.0000000000000001e-05}


unique_id: 26a7a626cb125990cfb8deac9320444b
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 370 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Hg", "basis": "really_tight", "relativistic": "scalar", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 335.45892810821533, "x": 1.02, "basis_threshold": 1.0000000000000001e-05}


unique_id: f262b274954879ef213eae8db3abd28a
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 370 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Tl", "basis": "really_tight", "relativistic": "scalar", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 412.19834518432617, "x": 0.98999999999999999, "basis_threshold": 1.0000000000000001e-05}


unique_id: 84305c949c3d2d146e742de88c1435e3
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 370 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Pb", "basis": "really_tight", "relativistic": "scalar", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 755.457515001297, "x": 0.97999999999999998, "basis_threshold": 1.0000000000000001e-05}


unique_id: 3216318e5d202277faed8cd2caeed80f
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 370 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Tl", "basis": "really_tight", "relativistic": "scalar", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 362.45729923248291, "x": 1.0, "basis_threshold": 1.0000000000000001e-05}


unique_id: 6e6ca2e3d5161545c937eab46d83668a
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 370 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Pb", "basis": "really_tight", "relativistic": "scalar", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 743.1974618434906, "x": 0.98999999999999999, "basis_threshold": 1.0000000000000001e-05}


unique_id: 2effd62bd1463e9aa1dedfc2796cdc18
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 370 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Tl", "basis": "really_tight", "relativistic": "scalar", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 394.64847779273987, "x": 1.01, "basis_threshold": 1.0000000000000001e-05}


unique_id: 6819e81871680b184a306763f2e53f34
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 370 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Tl", "basis": "really_tight", "relativistic": "scalar", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 345.78556513786316, "x": 1.02, "basis_threshold": 1.0000000000000001e-05}


unique_id: 2c03b0c2e072872551757ec115be932e
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 370 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Po", "basis": "really_tight", "relativistic": "scalar", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 113.25919508934021, "x": 0.97999999999999998, "basis_threshold": 1.0000000000000001e-05}


unique_id: a51f5a1a4aec7347389b7404b898c7e6
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 370 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Po", "basis": "really_tight", "relativistic": "scalar", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 109.30280590057373, "x": 0.98999999999999999, "basis_threshold": 1.0000000000000001e-05}


unique_id: 123eb78ae53e946b0933165369cddd32
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 369 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Bi", "basis": "really_tight", "relativistic": "scalar", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 1691.5889809131622, "x": 0.97999999999999998, "basis_threshold": 1.0000000000000001e-05}


unique_id: d57d5b78af436248a7a8a37f8746ea21
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 370 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Po", "basis": "really_tight", "relativistic": "scalar", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 123.55825400352478, "x": 1.0, "basis_threshold": 1.0000000000000001e-05}


unique_id: 209b9d67d27707270b55718e2155e8bc
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 370 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Pb", "basis": "really_tight", "relativistic": "scalar", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 716.98187804222107, "x": 1.0, "basis_threshold": 1.0000000000000001e-05}


unique_id: f26fbafa950bd4ba4f74331b26e8dc08
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 370 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Po", "basis": "really_tight", "relativistic": "scalar", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 121.0410168170929, "x": 1.01, "basis_threshold": 1.0000000000000001e-05}


unique_id: bb8f4a88bc3f08c69b03b63891aa067c
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 370 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Po", "basis": "really_tight", "relativistic": "scalar", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 117.24457788467407, "x": 1.02, "basis_threshold": 1.0000000000000001e-05}


unique_id: d6030191213ca5901ddf10c4c6fbd430
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 370 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Rn", "basis": "really_tight", "relativistic": "scalar", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 134.10903906822205, "x": 0.97999999999999998, "basis_threshold": 1.0000000000000001e-05}


unique_id: 8c3234eef4802fee84b0a4265d279f68
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 370 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Rn", "basis": "really_tight", "relativistic": "scalar", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 134.41930294036865, "x": 0.98999999999999999, "basis_threshold": 1.0000000000000001e-05}


unique_id: 249c82e72fe66114d62ee4187a45974b
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 370 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Rn", "basis": "really_tight", "relativistic": "scalar", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 131.76535797119141, "x": 1.0, "basis_threshold": 1.0000000000000001e-05}


unique_id: aed9ab5795628d7b403de7c3091457fc
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 370 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Pb", "basis": "really_tight", "relativistic": "scalar", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 701.97745895385742, "x": 1.01, "basis_threshold": 1.0000000000000001e-05}


unique_id: bbcdea85c994637dcf4028dffdf5ddd6
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 370 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Rn", "basis": "really_tight", "relativistic": "scalar", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 149.58492803573608, "x": 1.01, "basis_threshold": 1.0000000000000001e-05}


unique_id: 1e5e0b420c5e87dfdb0cfc07339383a2
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 370 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Rn", "basis": "really_tight", "relativistic": "scalar", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 148.59995198249817, "x": 1.02, "basis_threshold": 1.0000000000000001e-05}


unique_id: e6e23f9f69af130011438ed336a7dfee
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 370 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Pb", "basis": "really_tight", "relativistic": "scalar", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 686.84304118156433, "x": 1.02, "basis_threshold": 1.0000000000000001e-05}


unique_id: d0c93a88f35ba6dc3d324efa2618a339
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 369 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Bi", "basis": "really_tight", "relativistic": "scalar", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 1540.0943360328674, "x": 0.98999999999999999, "basis_threshold": 1.0000000000000001e-05}


unique_id: f4299fff8e9ba640bd8f4e7620ba24e5
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 369 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Bi", "basis": "really_tight", "relativistic": "scalar", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 1498.4272561073303, "x": 1.0, "basis_threshold": 1.0000000000000001e-05}


unique_id: 9c5746fd3c409798c444d1f26d77e189
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 369 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Bi", "basis": "really_tight", "relativistic": "scalar", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 1472.6052389144897, "x": 1.01, "basis_threshold": 1.0000000000000001e-05}


unique_id: 41d37dd817d33c75da6ece69fd780e9b
username: dulak
calculator: aims
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 369 characters]

key_value_pairs:
  {"kptdensity": 16.0, "name": "Bi", "basis": "really_tight", "relativistic": "scalar", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 1457.6088850498199, "x": 1.02, "basis_threshold": 1.0000000000000001e-05}


unique_id: fd113684c691d319af4076292c4d30bf
username: dulak
calculator: aims
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  {"kptdensity": 16.0, "name": "I", "basis": "light", "relativistic": "scalar", "calculator_version": 81213.0, "project": "dcdft", "linspacestr": "0.98x1.02x5", "width": 0.01, "time": 2395.9020872116089, "x": 1.0, "basis_threshold": 1.0000000000000001e-05}


