# systems

unique_id: 37c8e30fd37b714f921079136e42c77b
username: dulak
calculator: abinit
data: null
calculator_parameters:
  {"prtwf": 0, "kpts": [40, 40, 22], "ecut": 1088.4558262206924, "pawovlp": -1, "fband": 1.5, "toldfe": 9.9999999999999995e-07, "xc": "PBE", "chksymbreak": 0, "prtden": 0, "occopt": 3, "pawecutdg": 4081.7093483275962, "ecutsm": 0.0, "tolsym": 9.9999999999999994e-12, "nstep": 900, "tsmear": 0.01}

key_value_pairs:
  {"x": 0.97999999999999998, "kptdensity": 16.0, "name": "He", "potentials": "jth", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 630.01329803466797, "potentials_version": 0.20000000000000001, "project": "dcdft", "width": 0.01, "ecut": 80, "fband": 1.5, "calculator_version": "7.10.2", "ecutsm": 0.0, "tolsym": 9.9999999999999994e-12}


unique_id: bea82d8da77360c660a33cbbcff240bf
username: dulak
calculator: abinit
data: null
calculator_parameters:
  {"prtwf": 0, "kpts": [52, 52, 28], "ecut": 1088.4558262206924, "pawovlp": -1, "fband": 1.5, "toldfe": 9.9999999999999995e-07, "xc": "PBE", "chksymbreak": 0, "prtden": 0, "occopt": 3, "pawecutdg": 4081.7093483275962, "ecutsm": 0.0, "tolsym": 9.9999999999999994e-12, "nstep": 900, "tsmear": 0.01}

key_value_pairs:
  {"x": 0.97999999999999998, "kptdensity": 16.0, "name": "Be", "potentials": "jth", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 1020.0151190757751, "potentials_version": 0.20000000000000001, "project": "dcdft", "width": 0.01, "ecut": 80, "fband": 1.5, "calculator_version": "7.10.2", "ecutsm": 0.0, "tolsym": 9.9999999999999994e-12}


unique_id: 5bcc0033bc9caebd8501ce39a7d4914e
username: dulak
calculator: abinit
data: null
calculator_parameters:
  {"prtwf": 0, "kpts": [40, 40, 22], "ecut": 1088.4558262206924, "pawovlp": -1, "fband": 1.5, "toldfe": 9.9999999999999995e-07, "xc": "PBE", "chksymbreak": 0, "prtden": 0, "occopt": 3, "pawecutdg": 4081.7093483275962, "ecutsm": 0.0, "tolsym": 9.9999999999999994e-12, "nstep": 900, "tsmear": 0.01}

key_value_pairs:
  {"x": 0.98999999999999999, "kptdensity": 16.0, "name": "He", "potentials": "jth", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 634.07145619392395, "potentials_version": 0.20000000000000001, "project": "dcdft", "width": 0.01, "ecut": 80, "fband": 1.5, "calculator_version": "7.10.2", "ecutsm": 0.0, "tolsym": 9.9999999999999994e-12}


unique_id: 3e5c405d90f72c5a290ae96490cedec5
username: dulak
calculator: abinit
data: null
calculator_parameters:
  {"prtwf": 0, "kpts": [40, 40, 22], "ecut": 1088.4558262206924, "pawovlp": -1, "fband": 1.5, "toldfe": 9.9999999999999995e-07, "xc": "PBE", "chksymbreak": 0, "prtden": 0, "occopt": 3, "pawecutdg": 4081.7093483275962, "ecutsm": 0.0, "tolsym": 9.9999999999999994e-12, "nstep": 900, "tsmear": 0.01}

key_value_pairs:
  {"x": 1.0, "kptdensity": 16.0, "name": "He", "potentials": "jth", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 649.63190102577209, "potentials_version": 0.20000000000000001, "project": "dcdft", "width": 0.01, "ecut": 80, "fband": 1.5, "calculator_version": "7.10.2", "ecutsm": 0.0, "tolsym": 9.9999999999999994e-12}


unique_id: 94ea464922127188cf589cf52c25bb82
username: dulak
calculator: abinit
data: null
calculator_parameters:
  {"prtwf": 0, "kpts": [16, 16, 16], "ecut": 1088.4558262206924, "pawovlp": -1, "fband": 1.5, "toldfe": 9.9999999999999995e-07, "xc": "PBE", "chksymbreak": 0, "prtden": 0, "occopt": 3, "pawecutdg": 4081.7093483275962, "ecutsm": 0.0, "tolsym": 9.9999999999999994e-12, "nstep": 900, "tsmear": 0.01}

key_value_pairs:
  {"x": 0.97999999999999998, "kptdensity": 16.0, "name": "N", "potentials": "jth", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 1853.3634929656982, "potentials_version": 0.20000000000000001, "project": "dcdft", "width": 0.01, "ecut": 80, "fband": 1.5, "calculator_version": "7.10.2", "ecutsm": 0.0, "tolsym": 9.9999999999999994e-12}


unique_id: 6757623e4c6b3451faa98356ac415a38
username: dulak
calculator: abinit
data: null
calculator_parameters:
  {"prtwf": 0, "kpts": [52, 52, 28], "ecut": 1088.4558262206924, "pawovlp": -1, "fband": 1.5, "toldfe": 9.9999999999999995e-07, "xc": "PBE", "chksymbreak": 0, "prtden": 0, "occopt": 3, "pawecutdg": 4081.7093483275962, "ecutsm": 0.0, "tolsym": 9.9999999999999994e-12, "nstep": 900, "tsmear": 0.01}

key_value_pairs:
  {"x": 0.98999999999999999, "kptdensity": 16.0, "name": "Be", "potentials": "jth", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 1158.1839649677277, "potentials_version": 0.20000000000000001, "project": "dcdft", "width": 0.01, "ecut": 80, "fband": 1.5, "calculator_version": "7.10.2", "ecutsm": 0.0, "tolsym": 9.9999999999999994e-12}


unique_id: 4c0614c82e15adab438a3b7887a19676
username: dulak
calculator: abinit
data: null
calculator_parameters:
  {"prtwf": 0, "kpts": [22, 22, 22], "ecut": 1088.4558262206924, "pawovlp": -1, "fband": 1.5, "toldfe": 9.9999999999999995e-07, "xc": "PBE", "chksymbreak": 0, "prtden": 0, "occopt": 3, "pawecutdg": 4081.7093483275962, "ecutsm": 0.0, "tolsym": 9.9999999999999994e-12, "nstep": 900, "tsmear": 0.01}

key_value_pairs:
  {"x": 0.97999999999999998, "kptdensity": 16.0, "name": "Ne", "potentials": "jth", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 452.09194207191467, "potentials_version": 0.20000000000000001, "project": "dcdft", "width": 0.01, "ecut": 80, "fband": 1.5, "calculator_version": "7.10.2", "ecutsm": 0.0, "tolsym": 9.9999999999999994e-12}


unique_id: 6eda0bceecb39f04f6a609fccf9c35a6
username: dulak
calculator: abinit
data: null
calculator_parameters:
  {"prtwf": 0, "kpts": [28, 28, 20], "ecut": 1088.4558262206924, "pawovlp": -1, "fband": 1.5, "toldfe": 9.9999999999999995e-07, "xc": "PBE", "chksymbreak": 0, "prtden": 0, "occopt": 3, "pawecutdg": 4081.7093483275962, "ecutsm": 0.0, "tolsym": 9.9999999999999994e-12, "nstep": 900, "tsmear": 0.01}

key_value_pairs:
  {"x": 0.97999999999999998, "kptdensity": 16.0, "name": "H", "potentials": "jth", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 2771.6522259712219, "potentials_version": 0.20000000000000001, "project": "dcdft", "width": 0.01, "ecut": 80, "fband": 1.5, "calculator_version": "7.10.2", "ecutsm": 0.0, "tolsym": 9.9999999999999994e-12}


unique_id: d64c180d2ce24422433f990a42b2a826
username: dulak
calculator: abinit
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 294 characters]

key_value_pairs:
  {"x": 1.01, "kptdensity": 16.0, "name": "He", "potentials": "jth", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 657.55282998085022, "potentials_version": 0.20000000000000001, "project": "dcdft", "width": 0.01, "ecut": 80, "fband": 1.5, "calculator_version": "7.10.2", "ecutsm": 0.0, "tolsym": 9.9999999999999994e-12}


unique_id: 28167c6fb0aabe992eee97571514fe03
username: dulak
calculator: abinit
data: null
calculator_parameters:
  {"prtwf": 0, "kpts": [22, 22, 22], "ecut": 1088.4558262206924, "pawovlp": -1, "fband": 1.5, "toldfe": 9.9999999999999995e-07, "xc": "PBE", "chksymbreak": 0, "prtden": 0, "occopt": 3, "pawecutdg": 4081.7093483275962, "ecutsm": 0.0, "tolsym": 9.9999999999999994e-12, "nstep": 900, "tsmear": 0.01}

key_value_pairs:
  {"x": 0.98999999999999999, "kptdensity": 16.0, "name": "Ne", "potentials": "jth", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 439.65961909294128, "potentials_version": 0.20000000000000001, "project": "dcdft", "width": 0.01, "ecut": 80, "fband": 1.5, "calculator_version": "7.10.2", "ecutsm": 0.0, "tolsym": 9.9999999999999994e-12}


unique_id: 652f3db27a2af99bba5833de5edec395
username: dulak
calculator: abinit
data: null
calculator_parameters:
  {"prtwf": 0, "kpts": [24, 24, 24], "ecut": 1088.4558262206924, "pawovlp": -1, "fband": 1.5, "toldfe": 9.9999999999999995e-07, "xc": "PBE", "chksymbreak": 0, "prtden": 0, "occopt": 3, "pawecutdg": 4081.7093483275962, "ecutsm": 0.0, "tolsym": 9.9999999999999994e-12, "nstep": 900, "tsmear": 0.01}

key_value_pairs:
  {"x": 0.97999999999999998, "kptdensity": 16.0, "name": "Al", "potentials": "jth", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 187.42818999290466, "potentials_version": 0.20000000000000001, "project": "dcdft", "width": 0.01, "ecut": 80, "fband": 1.5, "calculator_version": "7.10.2", "ecutsm": 0.0, "tolsym": 9.9999999999999994e-12}


unique_id: 120d0e10be90dd21247b265751b843d8
username: dulak
calculator: abinit
data: null
calculator_parameters:
  {"prtwf": 0, "kpts": [24, 24, 24], "ecut": 1088.4558262206924, "pawovlp": -1, "fband": 1.5, "toldfe": 9.9999999999999995e-07, "xc": "PBE", "chksymbreak": 0, "prtden": 0, "occopt": 3, "pawecutdg": 4081.7093483275962, "ecutsm": 0.0, "tolsym": 9.9999999999999994e-12, "nstep": 900, "tsmear": 0.01}

key_value_pairs:
  {"x": 0.98999999999999999, "kptdensity": 16.0, "name": "Al", "potentials": "jth", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 172.44613480567932, "potentials_version": 0.20000000000000001, "project": "dcdft", "width": 0.01, "ecut": 80, "fband": 1.5, "calculator_version": "7.10.2", "ecutsm": 0.0, "tolsym": 9.9999999999999994e-12}


unique_id: 6b0399d86329b5c1a257be75ca3a8674
username: dulak
calculator: abinit
data: null
calculator_parameters:
  {"prtwf": 0, "kpts": [22, 22, 22], "ecut": 1088.4558262206924, "pawovlp": -1, "fband": 1.5, "toldfe": 9.9999999999999995e-07, "xc": "PBE", "chksymbreak": 0, "prtden": 0, "occopt": 3, "pawecutdg": 4081.7093483275962, "ecutsm": 0.0, "tolsym": 9.9999999999999994e-12, "nstep": 900, "tsmear": 0.01}

key_value_pairs:
  {"x": 1.0, "kptdensity": 16.0, "name": "Ne", "potentials": "jth", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 420.40371298789978, "potentials_version": 0.20000000000000001, "project": "dcdft", "width": 0.01, "ecut": 80, "fband": 1.5, "calculator_version": "7.10.2", "ecutsm": 0.0, "tolsym": 9.9999999999999994e-12}


unique_id: d86538ec951ced20cd0c2c3e45a24817
username: dulak
calculator: abinit
data: null
calculator_parameters:
  {"prtwf": 0, "kpts": [24, 24, 24], "ecut": 1088.4558262206924, "pawovlp": -1, "fband": 1.5, "toldfe": 9.9999999999999995e-07, "xc": "PBE", "chksymbreak": 0, "prtden": 0, "occopt": 3, "pawecutdg": 4081.7093483275962, "ecutsm": 0.0, "tolsym": 9.9999999999999994e-12, "nstep": 900, "tsmear": 0.01}

key_value_pairs:
  {"x": 1.0, "kptdensity": 16.0, "name": "Al", "potentials": "jth", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 159.20755696296692, "potentials_version": 0.20000000000000001, "project": "dcdft", "width": 0.01, "ecut": 80, "fband": 1.5, "calculator_version": "7.10.2", "ecutsm": 0.0, "tolsym": 9.9999999999999994e-12}


unique_id: 90dd355b643a5165d7770f30f3c26a48
username: dulak
calculator: abinit
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 294 characters]

key_value_pairs:
  {"x": 1.02, "kptdensity": 16.0, "name": "He", "potentials": "jth", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 771.79814100265503, "potentials_version": 0.20000000000000001, "project": "dcdft", "width": 0.01, "ecut": 80, "fband": 1.5, "calculator_version": "7.10.2", "ecutsm": 0.0, "tolsym": 9.9999999999999994e-12}


unique_id: 13f85fbcb262a039053d06be195d59bf
username: dulak
calculator: abinit
data: null
calculator_parameters:
  {"prtwf": 0, "kpts": [52, 52, 28], "ecut": 1088.4558262206924, "pawovlp": -1, "fband": 1.5, "toldfe": 9.9999999999999995e-07, "xc": "PBE", "chksymbreak": 0, "prtden": 0, "occopt": 3, "pawecutdg": 4081.7093483275962, "ecutsm": 0.0, "tolsym": 9.9999999999999994e-12, "nstep": 900, "tsmear": 0.01}

key_value_pairs:
  {"x": 1.0, "kptdensity": 16.0, "name": "Be", "potentials": "jth", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 1186.9623951911926, "potentials_version": 0.20000000000000001, "project": "dcdft", "width": 0.01, "ecut": 80, "fband": 1.5, "calculator_version": "7.10.2", "ecutsm": 0.0, "tolsym": 9.9999999999999994e-12}


unique_id: 7cb82e44b6aa4c09ec95d9f60e647b1d
username: dulak
calculator: abinit
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 294 characters]

key_value_pairs:
  {"x": 1.01, "kptdensity": 16.0, "name": "Al", "potentials": "jth", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 155.56438183784485, "potentials_version": 0.20000000000000001, "project": "dcdft", "width": 0.01, "ecut": 80, "fband": 1.5, "calculator_version": "7.10.2", "ecutsm": 0.0, "tolsym": 9.9999999999999994e-12}


unique_id: 12efedcda3d2f12bf94907eb24781709
username: dulak
calculator: abinit
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 294 characters]

key_value_pairs:
  {"x": 1.02, "kptdensity": 16.0, "name": "Al", "potentials": "jth", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 164.62905502319336, "potentials_version": 0.20000000000000001, "project": "dcdft", "width": 0.01, "ecut": 80, "fband": 1.5, "calculator_version": "7.10.2", "ecutsm": 0.0, "tolsym": 9.9999999999999994e-12}


unique_id: 1275e1e9142f7af6877024243685ab9c
username: dulak
calculator: abinit
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 294 characters]

key_value_pairs:
  {"x": 1.01, "kptdensity": 16.0, "name": "Ne", "potentials": "jth", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 518.98840308189392, "potentials_version": 0.20000000000000001, "project": "dcdft", "width": 0.01, "ecut": 80, "fband": 1.5, "calculator_version": "7.10.2", "ecutsm": 0.0, "tolsym": 9.9999999999999994e-12}


unique_id: 1633198c6a912186e091883f3db20b6c
username: dulak
calculator: abinit
data: null
calculator_parameters:
  {"prtwf": 0, "kpts": [48, 48, 12], "ecut": 1088.4558262206924, "pawovlp": -1, "fband": 1.5, "toldfe": 9.9999999999999995e-07, "xc": "PBE", "chksymbreak": 0, "prtden": 0, "occopt": 3, "pawecutdg": 4081.7093483275962, "ecutsm": 0.0, "tolsym": 9.9999999999999994e-12, "nstep": 900, "tsmear": 0.01}

key_value_pairs:
  {"x": 0.97999999999999998, "kptdensity": 16.0, "name": "C", "potentials": "jth", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 3565.7231838703156, "potentials_version": 0.20000000000000001, "project": "dcdft", "width": 0.01, "ecut": 80, "fband": 1.5, "calculator_version": "7.10.2", "ecutsm": 0.0, "tolsym": 9.9999999999999994e-12}


unique_id: 15a11a4b9336ebe34aa83cd107b13d50
username: dulak
calculator: abinit
data: null
calculator_parameters:
  {"prtwf": 0, "kpts": [16, 16, 16], "ecut": 1088.4558262206924, "pawovlp": -1, "fband": 1.5, "toldfe": 9.9999999999999995e-07, "xc": "PBE", "chksymbreak": 0, "prtden": 0, "occopt": 3, "pawecutdg": 4081.7093483275962, "ecutsm": 0.0, "tolsym": 9.9999999999999994e-12, "nstep": 900, "tsmear": 0.01}

key_value_pairs:
  {"x": 0.98999999999999999, "kptdensity": 16.0, "name": "N", "potentials": "jth", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 1765.6235740184784, "potentials_version": 0.20000000000000001, "project": "dcdft", "width": 0.01, "ecut": 80, "fband": 1.5, "calculator_version": "7.10.2", "ecutsm": 0.0, "tolsym": 9.9999999999999994e-12}


unique_id: 251d617ffca0d297396c5ebc89d00394
username: dulak
calculator: abinit
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 294 characters]

key_value_pairs:
  {"x": 1.02, "kptdensity": 16.0, "name": "Ne", "potentials": "jth", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 503.46615695953369, "potentials_version": 0.20000000000000001, "project": "dcdft", "width": 0.01, "ecut": 80, "fband": 1.5, "calculator_version": "7.10.2", "ecutsm": 0.0, "tolsym": 9.9999999999999994e-12}


unique_id: 67f37e8f6dae5b3a62219117ad59b267
username: dulak
calculator: abinit
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 294 characters]

key_value_pairs:
  {"x": 1.01, "kptdensity": 16.0, "name": "Be", "potentials": "jth", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 1202.7205240726471, "potentials_version": 0.20000000000000001, "project": "dcdft", "width": 0.01, "ecut": 80, "fband": 1.5, "calculator_version": "7.10.2", "ecutsm": 0.0, "tolsym": 9.9999999999999994e-12}


unique_id: 542822b4d4a8d50b4e42c5cb0e4e3d59
username: dulak
calculator: abinit
data: null
calculator_parameters:
  {"prtwf": 0, "kpts": [38, 38, 38], "ecut": 1088.4558262206924, "pawovlp": -1, "fband": 1.5, "toldfe": 9.9999999999999995e-07, "xc": "PBE", "chksymbreak": 0, "prtden": 0, "occopt": 3, "pawecutdg": 4081.7093483275962, "ecutsm": 0.0, "tolsym": 9.9999999999999994e-12, "nstep": 900, "tsmear": 0.01}

key_value_pairs:
  {"x": 0.97999999999999998, "kptdensity": 16.0, "name": "S", "potentials": "jth", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 587.13154196739197, "potentials_version": 0.20000000000000001, "project": "dcdft", "width": 0.01, "ecut": 80, "fband": 1.5, "calculator_version": "7.10.2", "ecutsm": 0.0, "tolsym": 9.9999999999999994e-12}


unique_id: 64a113dccea82050bd69c208862e1da0
username: dulak
calculator: abinit
data: null
calculator_parameters:
  {"prtwf": 0, "kpts": [28, 28, 20], "ecut": 1088.4558262206924, "pawovlp": -1, "fband": 1.5, "toldfe": 9.9999999999999995e-07, "xc": "PBE", "chksymbreak": 0, "prtden": 0, "occopt": 3, "pawecutdg": 4081.7093483275962, "ecutsm": 0.0, "tolsym": 9.9999999999999994e-12, "nstep": 900, "tsmear": 0.01}

key_value_pairs:
  {"x": 0.98999999999999999, "kptdensity": 16.0, "name": "H", "potentials": "jth", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 2793.0435779094696, "potentials_version": 0.20000000000000001, "project": "dcdft", "width": 0.01, "ecut": 80, "fband": 1.5, "calculator_version": "7.10.2", "ecutsm": 0.0, "tolsym": 9.9999999999999994e-12}


unique_id: 1c155bd5c8ee1b4f7c43f4fcf6772d16
username: dulak
calculator: abinit
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[cell repeats an earlier one in this file: 294 characters]

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[cell repeats an earlier one in this file: 294 characters]

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[cell repeats an earlier one in this file: 294 characters]

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[cell repeats an earlier one in this file: 294 characters]

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[cell repeats an earlier one in this file: 294 characters]

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[cell repeats an earlier one in this file: 294 characters]

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