# systems

unique_id: 855c7da932c95c446cfe43b30299ff4e
username: dulak
calculator: abinit
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 804 characters]

key_value_pairs:
  {"x": 0.98999999999999999, "kptdensity": 16.0, "name": "Kr", "potentials": "gpaw", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 1074.2141499519348, "potentials_version": 0.90000000000000002, "project": "dcdft", "width": 0.01, "ecut": 100, "fband": 1.5, "calculator_version": "7.10.2", "ecutsm": 0.0, "tolsym": 9.9999999999999994e-12}


unique_id: 76a6ea39b631db736ee068cd70d2f08c
username: dulak
calculator: abinit
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 804 characters]

key_value_pairs:
  {"x": 1.0, "kptdensity": 16.0, "name": "Rb", "potentials": "gpaw", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 477.91080093383789, "potentials_version": 0.90000000000000002, "project": "dcdft", "width": 0.01, "ecut": 100, "fband": 1.5, "calculator_version": "7.10.2", "ecutsm": 0.0, "tolsym": 9.9999999999999994e-12}


unique_id: 6284f889a158071574c747ceb5b0eebf
username: dulak
calculator: abinit
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 804 characters]

key_value_pairs:
  {"x": 1.01, "kptdensity": 16.0, "name": "Rb", "potentials": "gpaw", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 465.79999208450317, "potentials_version": 0.90000000000000002, "project": "dcdft", "width": 0.01, "ecut": 100, "fband": 1.5, "calculator_version": "7.10.2", "ecutsm": 0.0, "tolsym": 9.9999999999999994e-12}


unique_id: e73590a7f2a0bd143fd5f3661cbaf8da
username: dulak
calculator: abinit
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 804 characters]

key_value_pairs:
  {"x": 1.02, "kptdensity": 16.0, "name": "Si", "potentials": "gpaw", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 4982.8988800048828, "potentials_version": 0.90000000000000002, "project": "dcdft", "width": 0.01, "ecut": 100, "fband": 1.5, "calculator_version": "7.10.2", "ecutsm": 0.0, "tolsym": 9.9999999999999994e-12}


unique_id: 12878c525e223aee3a3e855c239fefd1
username: dulak
calculator: abinit
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 804 characters]

key_value_pairs:
  {"x": 1.0, "kptdensity": 16.0, "name": "Kr", "potentials": "gpaw", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 1105.3579139709473, "potentials_version": 0.90000000000000002, "project": "dcdft", "width": 0.01, "ecut": 100, "fband": 1.5, "calculator_version": "7.10.2", "ecutsm": 0.0, "tolsym": 9.9999999999999994e-12}


unique_id: 80349d93f5036aed93267f9daa0a4fd1
username: dulak
calculator: abinit
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 804 characters]

key_value_pairs:
  {"x": 1.02, "kptdensity": 16.0, "name": "Rb", "potentials": "gpaw", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 552.624675989151, "potentials_version": 0.90000000000000002, "project": "dcdft", "width": 0.01, "ecut": 100, "fband": 1.5, "calculator_version": "7.10.2", "ecutsm": 0.0, "tolsym": 9.9999999999999994e-12}


unique_id: 9956c3ba1e149bedd9f9973c87f9c25f
username: dulak
calculator: abinit
data: null
calculator_parameters:
  "\"\\\"\\\\\\\"{\\\\\\\\\\\\\\\"prtwf\\\\\\\\\\\\\\\": 0, \\\\\\\\\\\\\\\"kpts\\\\\\\\\\\\\\\": [44, 44, 20], \\\\\\\\\\\\\\\"ecut\\\\\\\\\\\\\\\": 1360.5697827758654, \\\\\\\\\\\\\\\"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": "Zn", "potentials": "gpaw", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 12245.090235948563, "potentials_version": 0.90000000000000002, "project": "dcdft", "width": 0.01, "ecut": 100, "fband": 1.5, "calculator_version": "7.10.2", "ecutsm": 0.0, "tolsym": 9.9999999999999994e-12}


unique_id: cbdd4d4d6dd21f7b453699c010190053
username: dulak
calculator: abinit
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 804 characters]

key_value_pairs:
  {"x": 0.97999999999999998, "kptdensity": 16.0, "name": "Sr", "potentials": "gpaw", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 1147.1875329017639, "potentials_version": 0.90000000000000002, "project": "dcdft", "width": 0.01, "ecut": 100, "fband": 1.5, "calculator_version": "7.10.2", "ecutsm": 0.0, "tolsym": 9.9999999999999994e-12}


unique_id: 29518750c7f1c29685e09658e1001eb9
username: dulak
calculator: abinit
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 804 characters]

key_value_pairs:
  {"x": 1.01, "kptdensity": 16.0, "name": "Kr", "potentials": "gpaw", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 1133.4722929000854, "potentials_version": 0.90000000000000002, "project": "dcdft", "width": 0.01, "ecut": 100, "fband": 1.5, "calculator_version": "7.10.2", "ecutsm": 0.0, "tolsym": 9.9999999999999994e-12}


unique_id: 9e25506d116254db3e68a34b89f581d8
username: dulak
calculator: abinit
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 804 characters]

key_value_pairs:
  {"x": 0.98999999999999999, "kptdensity": 16.0, "name": "Sr", "potentials": "gpaw", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 1140.7012429237366, "potentials_version": 0.90000000000000002, "project": "dcdft", "width": 0.01, "ecut": 100, "fband": 1.5, "calculator_version": "7.10.2", "ecutsm": 0.0, "tolsym": 9.9999999999999994e-12}


unique_id: b369666a17e0d19c6099595fca1afcb0
username: dulak
calculator: abinit
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 804 characters]

key_value_pairs:
  {"x": 1.0, "kptdensity": 16.0, "name": "Ti", "potentials": "gpaw", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 6027.5800228118896, "potentials_version": 0.90000000000000002, "project": "dcdft", "width": 0.01, "ecut": 100, "fband": 1.5, "calculator_version": "7.10.2", "ecutsm": 0.0, "tolsym": 9.9999999999999994e-12}


unique_id: 9d714eb8875076bbf4920b2ea07b1996
username: dulak
calculator: abinit
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 804 characters]

key_value_pairs:
  {"x": 1.02, "kptdensity": 16.0, "name": "Kr", "potentials": "gpaw", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 1097.3923990726471, "potentials_version": 0.90000000000000002, "project": "dcdft", "width": 0.01, "ecut": 100, "fband": 1.5, "calculator_version": "7.10.2", "ecutsm": 0.0, "tolsym": 9.9999999999999994e-12}


unique_id: 6bb5be5da77dca8343bf53f0c2fc0967
username: dulak
calculator: abinit
data: null
calculator_parameters:
  "\"\\\"\\\\\\\"{\\\\\\\\\\\\\\\"prtwf\\\\\\\\\\\\\\\": 0, \\\\\\\\\\\\\\\"kpts\\\\\\\\\\\\\\\": [30, 30, 30], \\\\\\\\\\\\\\\"ecut\\\\\\\\\\\\\\\": 1360.5697827758654, \\\\\\\\\\\\\\\"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": "Ge", "potentials": "gpaw", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 4648.8116447925568, "potentials_version": 0.90000000000000002, "project": "dcdft", "width": 0.01, "ecut": 100, "fband": 1.5, "calculator_version": "7.10.2", "ecutsm": 0.0, "tolsym": 9.9999999999999994e-12}


unique_id: bf589572086cb6b596672d5c93e41ba5
username: dulak
calculator: abinit
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 804 characters]

key_value_pairs:
  {"x": 1.02, "kptdensity": 16.0, "name": "Mg", "potentials": "gpaw", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 5783.3247761726379, "potentials_version": 0.90000000000000002, "project": "dcdft", "width": 0.01, "ecut": 100, "fband": 1.5, "calculator_version": "7.10.2", "ecutsm": 0.0, "tolsym": 9.9999999999999994e-12}


unique_id: 64e8a502499574fdfa2fbbf8ee0ad01d
username: dulak
calculator: abinit
data: null
calculator_parameters:
  "\"\\\"\\\\\\\"{\\\\\\\\\\\\\\\"prtwf\\\\\\\\\\\\\\\": 0, \\\\\\\\\\\\\\\"kpts\\\\\\\\\\\\\\\": [30, 30, 30], \\\\\\\\\\\\\\\"ecut\\\\\\\\\\\\\\\": 1360.5697827758654, \\\\\\\\\\\\\\\"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": "Nb", "potentials": "gpaw", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 537.69919013977051, "potentials_version": 0.90000000000000002, "project": "dcdft", "width": 0.01, "ecut": 100, "fband": 1.5, "calculator_version": "7.10.2", "ecutsm": 0.0, "tolsym": 9.9999999999999994e-12}


unique_id: 723591d28e5d0292ebb1ce98cf8675e0
username: dulak
calculator: abinit
data: null
calculator_parameters:
  "\"\\\"\\\\\\\"{\\\\\\\\\\\\\\\"prtwf\\\\\\\\\\\\\\\": 0, \\\\\\\\\\\\\\\"kpts\\\\\\\\\\\\\\\": [12, 24, 12], \\\\\\\\\\\\\\\"ecut\\\\\\\\\\\\\\\": 1360.5697827758654, \\\\\\\\\\\\\\\"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": "Cl", "potentials": "gpaw", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 26156.738586902618, "potentials_version": 0.90000000000000002, "project": "dcdft", "width": 0.01, "ecut": 100, "fband": 1.5, "calculator_version": "7.10.2", "ecutsm": 0.0, "tolsym": 9.9999999999999994e-12}


unique_id: b6106d320744a57cba58aacbdd590e38
username: dulak
calculator: abinit
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 804 characters]

key_value_pairs:
  {"x": 1.0, "kptdensity": 16.0, "name": "Sr", "potentials": "gpaw", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 1218.4688010215759, "potentials_version": 0.90000000000000002, "project": "dcdft", "width": 0.01, "ecut": 100, "fband": 1.5, "calculator_version": "7.10.2", "ecutsm": 0.0, "tolsym": 9.9999999999999994e-12}


unique_id: 5840a33f7df398e12616224940d90494
username: dulak
calculator: abinit
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 804 characters]

key_value_pairs:
  {"x": 0.98999999999999999, "kptdensity": 16.0, "name": "Nb", "potentials": "gpaw", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 560.62768197059631, "potentials_version": 0.90000000000000002, "project": "dcdft", "width": 0.01, "ecut": 100, "fband": 1.5, "calculator_version": "7.10.2", "ecutsm": 0.0, "tolsym": 9.9999999999999994e-12}


unique_id: 4d2fa0f868cdc640a5d78ada2308d5ff
username: dulak
calculator: abinit
data: null
calculator_parameters:
  "\"\\\"\\\\\\\"{\\\\\\\\\\\\\\\"prtwf\\\\\\\\\\\\\\\": 0, \\\\\\\\\\\\\\\"kpts\\\\\\\\\\\\\\\": [34, 34, 20], \\\\\\\\\\\\\\\"ecut\\\\\\\\\\\\\\\": 1360.5697827758654, \\\\\\\\\\\\\\\"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": "Sc", "potentials": "gpaw", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 10389.918161869049, "potentials_version": 0.90000000000000002, "project": "dcdft", "width": 0.01, "ecut": 100, "fband": 1.5, "calculator_version": "7.10.2", "ecutsm": 0.0, "tolsym": 9.9999999999999994e-12}


unique_id: c2bba483c4706a8ca5ed17efcb9e807b
username: dulak
calculator: abinit
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 804 characters]

key_value_pairs:
  {"x": 1.0, "kptdensity": 16.0, "name": "Nb", "potentials": "gpaw", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 550.19833016395569, "potentials_version": 0.90000000000000002, "project": "dcdft", "width": 0.01, "ecut": 100, "fband": 1.5, "calculator_version": "7.10.2", "ecutsm": 0.0, "tolsym": 9.9999999999999994e-12}


unique_id: 9b5f0e06d94883751d61231fb9d39a0b
username: dulak
calculator: abinit
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 804 characters]

key_value_pairs:
  {"x": 1.01, "kptdensity": 16.0, "name": "Sr", "potentials": "gpaw", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 1225.699159860611, "potentials_version": 0.90000000000000002, "project": "dcdft", "width": 0.01, "ecut": 100, "fband": 1.5, "calculator_version": "7.10.2", "ecutsm": 0.0, "tolsym": 9.9999999999999994e-12}


unique_id: 964a0de919c5ecb8fe7722b8ea0fa3fb
username: dulak
calculator: abinit
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 804 characters]

key_value_pairs:
  {"x": 1.01, "kptdensity": 16.0, "name": "Nb", "potentials": "gpaw", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 671.56985712051392, "potentials_version": 0.90000000000000002, "project": "dcdft", "width": 0.01, "ecut": 100, "fband": 1.5, "calculator_version": "7.10.2", "ecutsm": 0.0, "tolsym": 9.9999999999999994e-12}


unique_id: 6833ecfb9af74ebc4fcb0dccc3e48c3a
username: dulak
calculator: abinit
data: null
calculator_parameters:
  "\"\\\"\\\\\\\"{\\\\\\\\\\\\\\\"prtwf\\\\\\\\\\\\\\\": 0, \\\\\\\\\\\\\\\"kpts\\\\\\\\\\\\\\\": [26, 26, 20], \\\\\\\\\\\\\\\"ecut\\\\\\\\\\\\\\\": 1360.5697827758654, \\\\\\\\\\\\\\\"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": "Se", "potentials": "gpaw", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 10374.757309913635, "potentials_version": 0.90000000000000002, "project": "dcdft", "width": 0.01, "ecut": 100, "fband": 1.5, "calculator_version": "7.10.2", "ecutsm": 0.0, "tolsym": 9.9999999999999994e-12}


unique_id: 4df62647e396ddc3a0c598531aea18b0
username: dulak
calculator: abinit
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 804 characters]

key_value_pairs:
  {"x": 1.02, "kptdensity": 16.0, "name": "Nb", "potentials": "gpaw", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 704.35485696792603, "potentials_version": 0.90000000000000002, "project": "dcdft", "width": 0.01, "ecut": 100, "fband": 1.5, "calculator_version": "7.10.2", "ecutsm": 0.0, "tolsym": 9.9999999999999994e-12}


unique_id: c4a274f9ea2124a73daf8d89c1a5d4d0
username: dulak
calculator: abinit
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 804 characters]

key_value_pairs:
  {"x": 1.02, "kptdensity": 16.0, "name": "Sr", "potentials": "gpaw", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 1280.4966089725494, "potentials_version": 0.90000000000000002, "project": "dcdft", "width": 0.01, "ecut": 100, "fband": 1.5, "calculator_version": "7.10.2", "ecutsm": 0.0, "tolsym": 9.9999999999999994e-12}


unique_id: 49ef08b123a2295b1961531897b67a6b
username: dulak
calculator: abinit
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 804 characters]

key_value_pairs:
  {"x": 0.97999999999999998, "kptdensity": 16.0, "name": "Mo", "potentials": "gpaw", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 668.81203603744507, "potentials_version": 0.90000000000000002, "project": "dcdft", "width": 0.01, "ecut": 100, "fband": 1.5, "calculator_version": "7.10.2", "ecutsm": 0.0, "tolsym": 9.9999999999999994e-12}


unique_id: f579b4e1a33a079f40eafc6f65801b0e
username: dulak
calculator: abinit
data: null
calculator_parameters:
  "\"\\\"\\\\\\\"{\\\\\\\\\\\\\\\"prtwf\\\\\\\\\\\\\\\": 0, \\\\\\\\\\\\\\\"kpts\\\\\\\\\\\\\\\": [32, 32, 18], \\\\\\\\\\\\\\\"ecut\\\\\\\\\\\\\\\": 1360.5697827758654, \\\\\\\\\\\\\\\"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": "Y", "potentials": "gpaw", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 6595.7730231285095, "potentials_version": 0.90000000000000002, "project": "dcdft", "width": 0.01, "ecut": 100, "fband": 1.5, "calculator_version": "7.10.2", "ecutsm": 0.0, "tolsym": 9.9999999999999994e-12}


unique_id: 73ed083b218537fb83320e92b1897843
username: dulak
calculator: abinit
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 804 characters]

key_value_pairs:
  {"x": 0.98999999999999999, "kptdensity": 16.0, "name": "Mo", "potentials": "gpaw", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 654.88063788414001, "potentials_version": 0.90000000000000002, "project": "dcdft", "width": 0.01, "ecut": 100, "fband": 1.5, "calculator_version": "7.10.2", "ecutsm": 0.0, "tolsym": 9.9999999999999994e-12}


unique_id: cf6ba2356da042b80edf76b1bc2bd177
username: dulak
calculator: abinit
data: null
calculator_parameters:
  "\"\\\"\\\\\\\"{\\\\\\\\\\\\\\\"prtwf\\\\\\\\\\\\\\\": 0, \\\\\\\\\\\\\\\"kpts\\\\\\\\\\\\\\\": [30, 8, 22], \\\\\\\\\\\\\\\"ecut\\\\\\\\\\\\\\\": 1360.5697827758654, \\\\\\\\\\\\\\\"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": "P", "potentials": "gpaw", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 15369.489374160767, "potentials_version": 0.90000000000000002, "project": "dcdft", "width": 0.01, "ecut": 100, "fband": 1.5, "calculator_version": "7.10.2", "ecutsm": 0.0, "tolsym": 9.9999999999999994e-12}


unique_id: 13bfc403541813eda0b3c7d0bb431c55
username: dulak
calculator: abinit
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 804 characters]

key_value_pairs:
  {"x": 1.0, "kptdensity": 16.0, "name": "Ge", "potentials": "gpaw", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 5012.0925769805908, "potentials_version": 0.90000000000000002, "project": "dcdft", "width": 0.01, "ecut": 100, "fband": 1.5, "calculator_version": "7.10.2", "ecutsm": 0.0, "tolsym": 9.9999999999999994e-12}


unique_id: caf06540d7deb5e6f39992844ca32a0a
username: dulak
calculator: abinit
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 804 characters]

key_value_pairs:
  {"x": 1.0, "kptdensity": 16.0, "name": "Mo", "potentials": "gpaw", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 660.31102681159973, "potentials_version": 0.90000000000000002, "project": "dcdft", "width": 0.01, "ecut": 100, "fband": 1.5, "calculator_version": "7.10.2", "ecutsm": 0.0, "tolsym": 9.9999999999999994e-12}


unique_id: c8002db4dd7273aa5f36ba3e7fe83767
username: dulak
calculator: abinit
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 804 characters]

key_value_pairs:
  {"x": 1.01, "kptdensity": 16.0, "name": "Mo", "potentials": "gpaw", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 680.33136892318726, "potentials_version": 0.90000000000000002, "project": "dcdft", "width": 0.01, "ecut": 100, "fband": 1.5, "calculator_version": "7.10.2", "ecutsm": 0.0, "tolsym": 9.9999999999999994e-12}


unique_id: 94f74e96f17145aa0a480c8d7caabb69
username: dulak
calculator: abinit
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 804 characters]

key_value_pairs:
  {"x": 1.01, "kptdensity": 16.0, "name": "Ti", "potentials": "gpaw", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 6208.4520781040192, "potentials_version": 0.90000000000000002, "project": "dcdft", "width": 0.01, "ecut": 100, "fband": 1.5, "calculator_version": "7.10.2", "ecutsm": 0.0, "tolsym": 9.9999999999999994e-12}


unique_id: ff9b0eaaae3bd6242fce7bd8df6d2ad1
username: dulak
calculator: abinit
data: null
calculator_parameters:
  "\"\\\"\\\\\\\"{\\\\\\\\\\\\\\\"prtwf\\\\\\\\\\\\\\\": 0, \\\\\\\\\\\\\\\"kpts\\\\\\\\\\\\\\\": [12, 24, 12], \\\\\\\\\\\\\\\"ecut\\\\\\\\\\\\\\\": 1360.5697827758654, \\\\\\\\\\\\\\\"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": "Br", "potentials": "gpaw", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 12903.653703927994, "potentials_version": 0.90000000000000002, "project": "dcdft", "width": 0.01, "ecut": 100, "fband": 1.5, "calculator_version": "7.10.2", "ecutsm": 0.0, "tolsym": 9.9999999999999994e-12}


unique_id: 3ed62caf930f86ba83440010b05f795e
username: dulak
calculator: abinit
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 804 characters]

key_value_pairs:
  {"x": 1.02, "kptdensity": 16.0, "name": "Mo", "potentials": "gpaw", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 684.6895968914032, "potentials_version": 0.90000000000000002, "project": "dcdft", "width": 0.01, "ecut": 100, "fband": 1.5, "calculator_version": "7.10.2", "ecutsm": 0.0, "tolsym": 9.9999999999999994e-12}


unique_id: 52f552edd88913b491572835bc561d8f
username: dulak
calculator: abinit
data: null
calculator_parameters:
  "\"\\\"\\\\\\\"{\\\\\\\\\\\\\\\"prtwf\\\\\\\\\\\\\\\": 0, \\\\\\\\\\\\\\\"kpts\\\\\\\\\\\\\\\": [22, 12, 22], \\\\\\\\\\\\\\\"ecut\\\\\\\\\\\\\\\": 1360.5697827758654, \\\\\\\\\\\\\\\"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": "Ga", "potentials": "gpaw", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 10697.834517002106, "potentials_version": 0.90000000000000002, "project": "dcdft", "width": 0.01, "ecut": 100, "fband": 1.5, "calculator_version": "7.10.2", "ecutsm": 0.0, "tolsym": 9.9999999999999994e-12}


unique_id: 6d8453af6fc7a3d75b108e7ad818e7ff
username: dulak
calculator: abinit
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 804 characters]

key_value_pairs:
  {"x": 0.97999999999999998, "kptdensity": 16.0, "name": "Zr", "potentials": "gpaw", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 7711.091787815094, "potentials_version": 0.90000000000000002, "project": "dcdft", "width": 0.01, "ecut": 100, "fband": 1.5, "calculator_version": "7.10.2", "ecutsm": 0.0, "tolsym": 9.9999999999999994e-12}


unique_id: e0509751a919823aa918deaa6842f2d0
username: dulak
calculator: abinit
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 804 characters]

key_value_pairs:
  {"x": 1.01, "kptdensity": 16.0, "name": "Ge", "potentials": "gpaw", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 5121.9416799545288, "potentials_version": 0.90000000000000002, "project": "dcdft", "width": 0.01, "ecut": 100, "fband": 1.5, "calculator_version": "7.10.2", "ecutsm": 0.0, "tolsym": 9.9999999999999994e-12}


unique_id: e74ff0fa55ffb269b7129f6d53ddc186
username: dulak
calculator: abinit
data: null
calculator_parameters:
  "\"\\\"\\\\\\\"{\\\\\\\\\\\\\\\"prtwf\\\\\\\\\\\\\\\": 0, \\\\\\\\\\\\\\\"kpts\\\\\\\\\\\\\\\": [32, 32, 18], \\\\\\\\\\\\\\\"ecut\\\\\\\\\\\\\\\": 1360.5697827758654, \\\\\\\\\\\\\\\"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": "Y", "potentials": "gpaw", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 6688.5967710018158, "potentials_version": 0.90000000000000002, "project": "dcdft", "width": 0.01, "ecut": 100, "fband": 1.5, "calculator_version": "7.10.2", "ecutsm": 0.0, "tolsym": 9.9999999999999994e-12}


unique_id: 8a1b985de769c2d558f58842ee1550ca
username: dulak
calculator: abinit
data: null
calculator_parameters:
  "\"\\\"\\\\\\\"{\\\\\\\\\\\\\\\"prtwf\\\\\\\\\\\\\\\": 0, \\\\\\\\\\\\\\\"kpts\\\\\\\\\\\\\\\": [34, 34, 20], \\\\\\\\\\\\\\\"ecut\\\\\\\\\\\\\\\": 1360.5697827758654, \\\\\\\\\\\\\\\"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": "Sc", "potentials": "gpaw", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 10513.38769698143, "potentials_version": 0.90000000000000002, "project": "dcdft", "width": 0.01, "ecut": 100, "fband": 1.5, "calculator_version": "7.10.2", "ecutsm": 0.0, "tolsym": 9.9999999999999994e-12}


unique_id: 25841fe01480dc2e53c5d30ab4b79e70
username: dulak
calculator: abinit
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 804 characters]

key_value_pairs:
  {"x": 1.02, "kptdensity": 16.0, "name": "Ti", "potentials": "gpaw", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 6645.8117530345917, "potentials_version": 0.90000000000000002, "project": "dcdft", "width": 0.01, "ecut": 100, "fband": 1.5, "calculator_version": "7.10.2", "ecutsm": 0.0, "tolsym": 9.9999999999999994e-12}


unique_id: 34a7ba513ff4f4942a57504ef56a57d6
username: dulak
calculator: abinit
data: null
calculator_parameters:
  "\"\\\"\\\\\\\"{\\\\\\\\\\\\\\\"prtwf\\\\\\\\\\\\\\\": 0, \\\\\\\\\\\\\\\"kpts\\\\\\\\\\\\\\\": [44, 44, 20], \\\\\\\\\\\\\\\"ecut\\\\\\\\\\\\\\\": 1360.5697827758654, \\\\\\\\\\\\\\\"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": "Zn", "potentials": "gpaw", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 15605.609909057617, "potentials_version": 0.90000000000000002, "project": "dcdft", "width": 0.01, "ecut": 100, "fband": 1.5, "calculator_version": "7.10.2", "ecutsm": 0.0, "tolsym": 9.9999999999999994e-12}


unique_id: 79ab581d03f5febba2d192b5b8d8255e
username: dulak
calculator: abinit
data: null
calculator_parameters:
  "\"\\\"\\\\\\\"{\\\\\\\\\\\\\\\"prtwf\\\\\\\\\\\\\\\": 0, \\\\\\\\\\\\\\\"kpts\\\\\\\\\\\\\\\": [26, 26, 20], \\\\\\\\\\\\\\\"ecut\\\\\\\\\\\\\\\": 1360.5697827758654, \\\\\\\\\\\\\\\"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": "Se", "potentials": "gpaw", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 11514.252087831497, "potentials_version": 0.90000000000000002, "project": "dcdft", "width": 0.01, "ecut": 100, "fband": 1.5, "calculator_version": "7.10.2", "ecutsm": 0.0, "tolsym": 9.9999999999999994e-12}


unique_id: 19a203af58ecbce2455303c183db3ce4
username: dulak
calculator: abinit
data: null
calculator_parameters:
  "\"\\\"\\\\\\\"{\\\\\\\\\\\\\\\"prtwf\\\\\\\\\\\\\\\": 0, \\\\\\\\\\\\\\\"kpts\\\\\\\\\\\\\\\": [26, 26, 26], \\\\\\\\\\\\\\\"ecut\\\\\\\\\\\\\\\": 1360.5697827758654, \\\\\\\\\\\\\\\"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": "Rh", "potentials": "gpaw", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 2042.766233921051, "potentials_version": 0.90000000000000002, "project": "dcdft", "width": 0.01, "ecut": 100, "fband": 1.5, "calculator_version": "7.10.2", "ecutsm": 0.0, "tolsym": 9.9999999999999994e-12}


unique_id: 35070a1aba9a6607c049923fbdb61046
username: dulak
calculator: abinit
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 804 characters]

key_value_pairs:
  {"x": 0.98999999999999999, "kptdensity": 16.0, "name": "Zr", "potentials": "gpaw", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 7933.9844558238983, "potentials_version": 0.90000000000000002, "project": "dcdft", "width": 0.01, "ecut": 100, "fband": 1.5, "calculator_version": "7.10.2", "ecutsm": 0.0, "tolsym": 9.9999999999999994e-12}


unique_id: b733cf5f5d29c9a20db25d336597c49e
username: dulak
calculator: abinit
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 804 characters]

key_value_pairs:
  {"x": 1.02, "kptdensity": 16.0, "name": "Ge", "potentials": "gpaw", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 5471.191153049469, "potentials_version": 0.90000000000000002, "project": "dcdft", "width": 0.01, "ecut": 100, "fband": 1.5, "calculator_version": "7.10.2", "ecutsm": 0.0, "tolsym": 9.9999999999999994e-12}


unique_id: 7b53edc3813c4080a826a39a2660f70b
username: dulak
calculator: abinit
data: null
calculator_parameters:
  "\"\\\"\\\\\\\"{\\\\\\\\\\\\\\\"prtwf\\\\\\\\\\\\\\\": 0, \\\\\\\\\\\\\\\"kpts\\\\\\\\\\\\\\\": [42, 42, 24], \\\\\\\\\\\\\\\"ecut\\\\\\\\\\\\\\\": 1360.5697827758654, \\\\\\\\\\\\\\\"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": "Ru", "potentials": "gpaw", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 9723.053699016571, "potentials_version": 0.90000000000000002, "project": "dcdft", "width": 0.01, "ecut": 100, "fband": 1.5, "calculator_version": "7.10.2", "ecutsm": 0.0, "tolsym": 9.9999999999999994e-12}


unique_id: 89e7fee0c7326ad5962796624e8fabe8
username: dulak
calculator: abinit
data: null
calculator_parameters:
  "\"\\\"\\\\\\\"{\\\\\\\\\\\\\\\"prtwf\\\\\\\\\\\\\\\": 0, \\\\\\\\\\\\\\\"kpts\\\\\\\\\\\\\\\": [26, 26, 26], \\\\\\\\\\\\\\\"ecut\\\\\\\\\\\\\\\": 1360.5697827758654, \\\\\\\\\\\\\\\"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": "Rh", "potentials": "gpaw", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 2046.8149509429932, "potentials_version": 0.90000000000000002, "project": "dcdft", "width": 0.01, "ecut": 100, "fband": 1.5, "calculator_version": "7.10.2", "ecutsm": 0.0, "tolsym": 9.9999999999999994e-12}


unique_id: c5525249c951e125e37a84863ae2da55
username: dulak
calculator: abinit
data: null
calculator_parameters:
  "\"\\\"\\\\\\\"{\\\\\\\\\\\\\\\"prtwf\\\\\\\\\\\\\\\": 0, \\\\\\\\\\\\\\\"kpts\\\\\\\\\\\\\\\": [30, 30, 10], \\\\\\\\\\\\\\\"ecut\\\\\\\\\\\\\\\": 1360.5697827758654, \\\\\\\\\\\\\\\"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": "As", "potentials": "gpaw", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 26198.942169904709, "potentials_version": 0.90000000000000002, "project": "dcdft", "width": 0.01, "ecut": 100, "fband": 1.5, "calculator_version": "7.10.2", "ecutsm": 0.0, "tolsym": 9.9999999999999994e-12}


unique_id: d7cb9990a9f46e90dac6d20522f8b452
username: dulak
calculator: abinit
data: null
calculator_parameters:
  "\"\\\"\\\\\\\"{\\\\\\\\\\\\\\\"prtwf\\\\\\\\\\\\\\\": 0, \\\\\\\\\\\\\\\"kpts\\\\\\\\\\\\\\\": [32, 32, 18], \\\\\\\\\\\\\\\"ecut\\\\\\\\\\\\\\\": 1360.5697827758654, \\\\\\\\\\\\\\\"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": "Y", "potentials": "gpaw", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 6557.5797209739685, "potentials_version": 0.90000000000000002, "project": "dcdft", "width": 0.01, "ecut": 100, "fband": 1.5, "calculator_version": "7.10.2", "ecutsm": 0.0, "tolsym": 9.9999999999999994e-12}


unique_id: 4ae114b1533afab279676742086b3023
username: dulak
calculator: abinit
data: null
calculator_parameters:
  "\"\\\"\\\\\\\"{\\\\\\\\\\\\\\\"prtwf\\\\\\\\\\\\\\\": 0, \\\\\\\\\\\\\\\"kpts\\\\\\\\\\\\\\\": [26, 26, 26], \\\\\\\\\\\\\\\"ecut\\\\\\\\\\\\\\\": 1360.5697827758654, \\\\\\\\\\\\\\\"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": "Pd", "potentials": "gpaw", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 2250.8763751983643, "potentials_version": 0.90000000000000002, "project": "dcdft", "width": 0.01, "ecut": 100, "fband": 1.5, "calculator_version": "7.10.2", "ecutsm": 0.0, "tolsym": 9.9999999999999994e-12}


unique_id: 14e96dceed1ce542f833612547651211
username: dulak
calculator: abinit
data: null
calculator_parameters:
  "\"\\\"\\\\\\\"{\\\\\\\\\\\\\\\"prtwf\\\\\\\\\\\\\\\": 0, \\\\\\\\\\\\\\\"kpts\\\\\\\\\\\\\\\": [22, 12, 22], \\\\\\\\\\\\\\\"ecut\\\\\\\\\\\\\\\": 1360.5697827758654, \\\\\\\\\\\\\\\"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": "Ga", "potentials": "gpaw", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 10874.506319046021, "potentials_version": 0.90000000000000002, "project": "dcdft", "width": 0.01, "ecut": 100, "fband": 1.5, "calculator_version": "7.10.2", "ecutsm": 0.0, "tolsym": 9.9999999999999994e-12}


unique_id: b4782f502e2389996c1ae5e73d293a83
username: dulak
calculator: abinit
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 804 characters]

key_value_pairs:
  {"x": 1.0, "kptdensity": 16.0, "name": "Rh", "potentials": "gpaw", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 2198.6407868862152, "potentials_version": 0.90000000000000002, "project": "dcdft", "width": 0.01, "ecut": 100, "fband": 1.5, "calculator_version": "7.10.2", "ecutsm": 0.0, "tolsym": 9.9999999999999994e-12}


unique_id: ef0a54c2009308f7cde97f5c295bb693
username: dulak
calculator: abinit
data: null
calculator_parameters:
  "\"\\\"\\\\\\\"{\\\\\\\\\\\\\\\"prtwf\\\\\\\\\\\\\\\": 0, \\\\\\\\\\\\\\\"kpts\\\\\\\\\\\\\\\": [16, 28, 14], \\\\\\\\\\\\\\\"ecut\\\\\\\\\\\\\\\": 1360.5697827758654, \\\\\\\\\\\\\\\"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": "F", "potentials": "gpaw", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 49607.100516796112, "potentials_version": 0.90000000000000002, "project": "dcdft", "width": 0.01, "ecut": 100, "fband": 1.5, "calculator_version": "7.10.2", "ecutsm": 0.0, "tolsym": 9.9999999999999994e-12}


unique_id: 882066ddb95c5aea9fe92d37979b269f
username: dulak
calculator: abinit
data: null
calculator_parameters:
  "\"\\\"\\\\\\\"{\\\\\\\\\\\\\\\"prtwf\\\\\\\\\\\\\\\": 0, \\\\\\\\\\\\\\\"kpts\\\\\\\\\\\\\\\": [12, 24, 12], \\\\\\\\\\\\\\\"ecut\\\\\\\\\\\\\\\": 1360.5697827758654, \\\\\\\\\\\\\\\"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": "Br", "potentials": "gpaw", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 13891.882930040359, "potentials_version": 0.90000000000000002, "project": "dcdft", "width": 0.01, "ecut": 100, "fband": 1.5, "calculator_version": "7.10.2", "ecutsm": 0.0, "tolsym": 9.9999999999999994e-12}


unique_id: 821478d8a9d65dc1936f002116870fe0
username: dulak
calculator: abinit
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 804 characters]

key_value_pairs:
  {"x": 0.98999999999999999, "kptdensity": 16.0, "name": "Pd", "potentials": "gpaw", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 2991.9272129535675, "potentials_version": 0.90000000000000002, "project": "dcdft", "width": 0.01, "ecut": 100, "fband": 1.5, "calculator_version": "7.10.2", "ecutsm": 0.0, "tolsym": 9.9999999999999994e-12}


unique_id: d57a3d345bdcc1031e88d13e28d68061
username: dulak
calculator: abinit
data: null
calculator_parameters:
  "\"\\\"\\\\\\\"{\\\\\\\\\\\\\\\"prtwf\\\\\\\\\\\\\\\": 0, \\\\\\\\\\\\\\\"kpts\\\\\\\\\\\\\\\": [30, 8, 22], \\\\\\\\\\\\\\\"ecut\\\\\\\\\\\\\\\": 1360.5697827758654, \\\\\\\\\\\\\\\"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": "P", "potentials": "gpaw", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 16296.561360120773, "potentials_version": 0.90000000000000002, "project": "dcdft", "width": 0.01, "ecut": 100, "fband": 1.5, "calculator_version": "7.10.2", "ecutsm": 0.0, "tolsym": 9.9999999999999994e-12}


unique_id: c339f0eda7f8345ca767c20298914288
username: dulak
calculator: abinit
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 804 characters]

key_value_pairs:
  {"x": 1.01, "kptdensity": 16.0, "name": "Rh", "potentials": "gpaw", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 2159.3899850845337, "potentials_version": 0.90000000000000002, "project": "dcdft", "width": 0.01, "ecut": 100, "fband": 1.5, "calculator_version": "7.10.2", "ecutsm": 0.0, "tolsym": 9.9999999999999994e-12}


unique_id: 51e292b576fca0ff99d0e13e8287d9d7
username: dulak
calculator: abinit
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 804 characters]

key_value_pairs:
  {"x": 1.0, "kptdensity": 16.0, "name": "Pd", "potentials": "gpaw", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 2421.8716390132904, "potentials_version": 0.90000000000000002, "project": "dcdft", "width": 0.01, "ecut": 100, "fband": 1.5, "calculator_version": "7.10.2", "ecutsm": 0.0, "tolsym": 9.9999999999999994e-12}


unique_id: 64dddf2145dc7c6a16d1dff5dd0d5642
username: dulak
calculator: abinit
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 804 characters]

key_value_pairs:
  {"x": 1.02, "kptdensity": 16.0, "name": "Rh", "potentials": "gpaw", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 2202.6153478622437, "potentials_version": 0.90000000000000002, "project": "dcdft", "width": 0.01, "ecut": 100, "fband": 1.5, "calculator_version": "7.10.2", "ecutsm": 0.0, "tolsym": 9.9999999999999994e-12}


unique_id: eabcde594efffde81e15fb674e6f4352
username: dulak
calculator: abinit
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 804 characters]

key_value_pairs:
  {"x": 1.0, "kptdensity": 16.0, "name": "Zr", "potentials": "gpaw", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 8224.0922110080719, "potentials_version": 0.90000000000000002, "project": "dcdft", "width": 0.01, "ecut": 100, "fband": 1.5, "calculator_version": "7.10.2", "ecutsm": 0.0, "tolsym": 9.9999999999999994e-12}


unique_id: 72b9ae858e99208cc404b4436b7eb611
username: dulak
calculator: abinit
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 804 characters]

key_value_pairs:
  {"x": 0.97999999999999998, "kptdensity": 16.0, "name": "Ag", "potentials": "gpaw", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 2262.5911591053009, "potentials_version": 0.90000000000000002, "project": "dcdft", "width": 0.01, "ecut": 100, "fband": 1.5, "calculator_version": "7.10.2", "ecutsm": 0.0, "tolsym": 9.9999999999999994e-12}


unique_id: ec8bb3ba65101e4fb77427fef828fdda
username: dulak
calculator: abinit
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 804 characters]

key_value_pairs:
  {"x": 1.01, "kptdensity": 16.0, "name": "Y", "potentials": "gpaw", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 6739.4382531642914, "potentials_version": 0.90000000000000002, "project": "dcdft", "width": 0.01, "ecut": 100, "fband": 1.5, "calculator_version": "7.10.2", "ecutsm": 0.0, "tolsym": 9.9999999999999994e-12}


unique_id: b36ebbb3040fa95d53e294e052baa422
username: dulak
calculator: abinit
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 804 characters]

key_value_pairs:
  {"x": 1.01, "kptdensity": 16.0, "name": "Sc", "potentials": "gpaw", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 12655.143139123917, "potentials_version": 0.90000000000000002, "project": "dcdft", "width": 0.01, "ecut": 100, "fband": 1.5, "calculator_version": "7.10.2", "ecutsm": 0.0, "tolsym": 9.9999999999999994e-12}


unique_id: a8750bbf8cc5bec30c85d12e5063912a
username: dulak
calculator: abinit
data: null
calculator_parameters:
  "\"\\\"\\\\\\\"{\\\\\\\\\\\\\\\"prtwf\\\\\\\\\\\\\\\": 0, \\\\\\\\\\\\\\\"kpts\\\\\\\\\\\\\\\": [42, 42, 24], \\\\\\\\\\\\\\\"ecut\\\\\\\\\\\\\\\": 1360.5697827758654, \\\\\\\\\\\\\\\"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": "Ru", "potentials": "gpaw", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 8806.1716129779816, "potentials_version": 0.90000000000000002, "project": "dcdft", "width": 0.01, "ecut": 100, "fband": 1.5, "calculator_version": "7.10.2", "ecutsm": 0.0, "tolsym": 9.9999999999999994e-12}


unique_id: 5c60526cd0bed8f5561bbfcee767cf8b
username: dulak
calculator: abinit
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 804 characters]

key_value_pairs:
  {"x": 1.01, "kptdensity": 16.0, "name": "Pd", "potentials": "gpaw", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 2930.1564660072327, "potentials_version": 0.90000000000000002, "project": "dcdft", "width": 0.01, "ecut": 100, "fband": 1.5, "calculator_version": "7.10.2", "ecutsm": 0.0, "tolsym": 9.9999999999999994e-12}


unique_id: 3e9fd8d4cbd6b200974e55a5500a0c53
username: dulak
calculator: abinit
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 804 characters]

key_value_pairs:
  {"x": 0.98999999999999999, "kptdensity": 16.0, "name": "Ag", "potentials": "gpaw", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 2302.455090045929, "potentials_version": 0.90000000000000002, "project": "dcdft", "width": 0.01, "ecut": 100, "fband": 1.5, "calculator_version": "7.10.2", "ecutsm": 0.0, "tolsym": 9.9999999999999994e-12}


unique_id: d946948a6cd962de192e826fc669403a
username: dulak
calculator: abinit
data: null
calculator_parameters:
  "\"\\\"\\\\\\\"{\\\\\\\\\\\\\\\"prtwf\\\\\\\\\\\\\\\": 0, \\\\\\\\\\\\\\\"kpts\\\\\\\\\\\\\\\": [26, 26, 20], \\\\\\\\\\\\\\\"ecut\\\\\\\\\\\\\\\": 1360.5697827758654, \\\\\\\\\\\\\\\"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": "Se", "potentials": "gpaw", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 12517.347163915634, "potentials_version": 0.90000000000000002, "project": "dcdft", "width": 0.01, "ecut": 100, "fband": 1.5, "calculator_version": "7.10.2", "ecutsm": 0.0, "tolsym": 9.9999999999999994e-12}


unique_id: 66a20469923a2edca01623e456cd518c
username: dulak
calculator: abinit
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 804 characters]

key_value_pairs:
  {"x": 0.98999999999999999, "kptdensity": 16.0, "name": "Cl", "potentials": "gpaw", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 27505.560682058334, "potentials_version": 0.90000000000000002, "project": "dcdft", "width": 0.01, "ecut": 100, "fband": 1.5, "calculator_version": "7.10.2", "ecutsm": 0.0, "tolsym": 9.9999999999999994e-12}


unique_id: 4873ad316eddc312c07e1f68a85e85e9
username: dulak
calculator: abinit
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 804 characters]

key_value_pairs:
  {"x": 1.0, "kptdensity": 16.0, "name": "Ag", "potentials": "gpaw", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 2368.4256348609924, "potentials_version": 0.90000000000000002, "project": "dcdft", "width": 0.01, "ecut": 100, "fband": 1.5, "calculator_version": "7.10.2", "ecutsm": 0.0, "tolsym": 9.9999999999999994e-12}


unique_id: 2d4b2fdeacb29c00c1d672144921d0e2
username: dulak
calculator: abinit
data: null
calculator_parameters:
  "\"\\\"\\\\\\\"{\\\\\\\\\\\\\\\"prtwf\\\\\\\\\\\\\\\": 0, \\\\\\\\\\\\\\\"kpts\\\\\\\\\\\\\\\": [30, 30, 20], \\\\\\\\\\\\\\\"ecut\\\\\\\\\\\\\\\": 1360.5697827758654, \\\\\\\\\\\\\\\"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": "In", "potentials": "gpaw", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 1590.0419571399689, "potentials_version": 0.90000000000000002, "project": "dcdft", "width": 0.01, "ecut": 100, "fband": 1.5, "calculator_version": "7.10.2", "ecutsm": 0.0, "tolsym": 9.9999999999999994e-12}


unique_id: cd04907076056d1af76400b1a08c44cd
username: dulak
calculator: abinit
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 804 characters]

key_value_pairs:
  {"x": 1.01, "kptdensity": 16.0, "name": "Ga", "potentials": "gpaw", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 11174.051831007004, "potentials_version": 0.90000000000000002, "project": "dcdft", "width": 0.01, "ecut": 100, "fband": 1.5, "calculator_version": "7.10.2", "ecutsm": 0.0, "tolsym": 9.9999999999999994e-12}


unique_id: 4f876ccb37272c1dd0fe6c526653d09b
username: dulak
calculator: abinit
data: null
calculator_parameters:
  "\"\\\"\\\\\\\"{\\\\\\\\\\\\\\\"prtwf\\\\\\\\\\\\\\\": 0, \\\\\\\\\\\\\\\"kpts\\\\\\\\\\\\\\\": [38, 38, 18], \\\\\\\\\\\\\\\"ecut\\\\\\\\\\\\\\\": 1360.5697827758654, \\\\\\\\\\\\\\\"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": "Cd", "potentials": "gpaw", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 6101.9015769958496, "potentials_version": 0.90000000000000002, "project": "dcdft", "width": 0.01, "ecut": 100, "fband": 1.5, "calculator_version": "7.10.2", "ecutsm": 0.0, "tolsym": 9.9999999999999994e-12}


unique_id: c72f2ecc42c432beb053d55379422ab8
username: dulak
calculator: abinit
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 804 characters]

key_value_pairs:
  {"x": 1.02, "kptdensity": 16.0, "name": "Pd", "potentials": "gpaw", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 3227.4774661064148, "potentials_version": 0.90000000000000002, "project": "dcdft", "width": 0.01, "ecut": 100, "fband": 1.5, "calculator_version": "7.10.2", "ecutsm": 0.0, "tolsym": 9.9999999999999994e-12}


unique_id: 57f9bede9295786edc4f0c24ef95091e
username: dulak
calculator: abinit
data: null
calculator_parameters:
  "\"\\\"\\\\\\\"{\\\\\\\\\\\\\\\"prtwf\\\\\\\\\\\\\\\": 0, \\\\\\\\\\\\\\\"kpts\\\\\\\\\\\\\\\": [30, 30, 20], \\\\\\\\\\\\\\\"ecut\\\\\\\\\\\\\\\": 1360.5697827758654, \\\\\\\\\\\\\\\"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": "In", "potentials": "gpaw", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 1436.2762489318848, "potentials_version": 0.90000000000000002, "project": "dcdft", "width": 0.01, "ecut": 100, "fband": 1.5, "calculator_version": "7.10.2", "ecutsm": 0.0, "tolsym": 9.9999999999999994e-12}


unique_id: a932f0465435fec4ed2df0b3ed223389
username: dulak
calculator: abinit
data: null
calculator_parameters:
  "\"\\\"\\\\\\\"{\\\\\\\\\\\\\\\"prtwf\\\\\\\\\\\\\\\": 0, \\\\\\\\\\\\\\\"kpts\\\\\\\\\\\\\\\": [44, 44, 20], \\\\\\\\\\\\\\\"ecut\\\\\\\\\\\\\\\": 1360.5697827758654, \\\\\\\\\\\\\\\"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": "Zn", "potentials": "gpaw", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 16563.821940898895, "potentials_version": 0.90000000000000002, "project": "dcdft", "width": 0.01, "ecut": 100, "fband": 1.5, "calculator_version": "7.10.2", "ecutsm": 0.0, "tolsym": 9.9999999999999994e-12}


unique_id: afa7b8eb60a47e3a4e15c2cf47b38cce
username: dulak
calculator: abinit
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 804 characters]

key_value_pairs:
  {"x": 1.02, "kptdensity": 16.0, "name": "Y", "potentials": "gpaw", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 6487.6346230506897, "potentials_version": 0.90000000000000002, "project": "dcdft", "width": 0.01, "ecut": 100, "fband": 1.5, "calculator_version": "7.10.2", "ecutsm": 0.0, "tolsym": 9.9999999999999994e-12}


unique_id: dca5ca06c8fb719ef6216fe9579afd0c
username: dulak
calculator: abinit
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 804 characters]

key_value_pairs:
  {"x": 1.01, "kptdensity": 16.0, "name": "Ag", "potentials": "gpaw", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 2777.0525901317596, "potentials_version": 0.90000000000000002, "project": "dcdft", "width": 0.01, "ecut": 100, "fband": 1.5, "calculator_version": "7.10.2", "ecutsm": 0.0, "tolsym": 9.9999999999999994e-12}


unique_id: f9bed2e767f387f7044d01a6f3714c30
username: dulak
calculator: abinit
data: null
calculator_parameters:
  "\"\\\"\\\\\\\"{\\\\\\\\\\\\\\\"prtwf\\\\\\\\\\\\\\\": 0, \\\\\\\\\\\\\\\"kpts\\\\\\\\\\\\\\\": [30, 30, 20], \\\\\\\\\\\\\\\"ecut\\\\\\\\\\\\\\\": 1360.5697827758654, \\\\\\\\\\\\\\\"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": "In", "potentials": "gpaw", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 1303.2404699325562, "potentials_version": 0.90000000000000002, "project": "dcdft", "width": 0.01, "ecut": 100, "fband": 1.5, "calculator_version": "7.10.2", "ecutsm": 0.0, "tolsym": 9.9999999999999994e-12}


unique_id: aa857d6a7671e41777395e19b835bae1
username: dulak
calculator: abinit
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 804 characters]

key_value_pairs:
  {"x": 1.01, "kptdensity": 16.0, "name": "Zr", "potentials": "gpaw", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 8677.0893270969391, "potentials_version": 0.90000000000000002, "project": "dcdft", "width": 0.01, "ecut": 100, "fband": 1.5, "calculator_version": "7.10.2", "ecutsm": 0.0, "tolsym": 9.9999999999999994e-12}


unique_id: 5f174d57c620d47570ca31b50eaab8f2
username: dulak
calculator: abinit
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 804 characters]

key_value_pairs:
  {"x": 1.01, "kptdensity": 16.0, "name": "In", "potentials": "gpaw", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 1679.4759209156036, "potentials_version": 0.90000000000000002, "project": "dcdft", "width": 0.01, "ecut": 100, "fband": 1.5, "calculator_version": "7.10.2", "ecutsm": 0.0, "tolsym": 9.9999999999999994e-12}


unique_id: 2d2aea490ad003a9a106f60671c2e1ca
username: dulak
calculator: abinit
data: null
calculator_parameters:
  "\"\\\"\\\\\\\"{\\\\\\\\\\\\\\\"prtwf\\\\\\\\\\\\\\\": 0, \\\\\\\\\\\\\\\"kpts\\\\\\\\\\\\\\\": [42, 42, 24], \\\\\\\\\\\\\\\"ecut\\\\\\\\\\\\\\\": 1360.5697827758654, \\\\\\\\\\\\\\\"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": "Ru", "potentials": "gpaw", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 8793.1866590976715, "potentials_version": 0.90000000000000002, "project": "dcdft", "width": 0.01, "ecut": 100, "fband": 1.5, "calculator_version": "7.10.2", "ecutsm": 0.0, "tolsym": 9.9999999999999994e-12}


unique_id: bbc517e472b19bb42ea3a8d918701ec9
username: dulak
calculator: abinit
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 804 characters]

key_value_pairs:
  {"x": 1.02, "kptdensity": 16.0, "name": "Ag", "potentials": "gpaw", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 2936.2402060031891, "potentials_version": 0.90000000000000002, "project": "dcdft", "width": 0.01, "ecut": 100, "fband": 1.5, "calculator_version": "7.10.2", "ecutsm": 0.0, "tolsym": 9.9999999999999994e-12}


unique_id: b0fa3e7ae7a4a7e7abb5d344aa590ff9
username: dulak
calculator: abinit
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 804 characters]

key_value_pairs:
  {"x": 1.0, "kptdensity": 16.0, "name": "Br", "potentials": "gpaw", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 14738.020292043686, "potentials_version": 0.90000000000000002, "project": "dcdft", "width": 0.01, "ecut": 100, "fband": 1.5, "calculator_version": "7.10.2", "ecutsm": 0.0, "tolsym": 9.9999999999999994e-12}


unique_id: 86ab817fc1c8681549a54125cc060718
username: dulak
calculator: abinit
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 804 characters]

key_value_pairs:
  {"x": 1.02, "kptdensity": 16.0, "name": "In", "potentials": "gpaw", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 1733.7526290416718, "potentials_version": 0.90000000000000002, "project": "dcdft", "width": 0.01, "ecut": 100, "fband": 1.5, "calculator_version": "7.10.2", "ecutsm": 0.0, "tolsym": 9.9999999999999994e-12}


unique_id: 82ebbc8852154c52913297ec853b6ed3
username: dulak
calculator: abinit
data: null
calculator_parameters:
  "\"\\\"\\\\\\\"{\\\\\\\\\\\\\\\"prtwf\\\\\\\\\\\\\\\": 0, \\\\\\\\\\\\\\\"kpts\\\\\\\\\\\\\\\": [38, 38, 18], \\\\\\\\\\\\\\\"ecut\\\\\\\\\\\\\\\": 1360.5697827758654, \\\\\\\\\\\\\\\"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": "Cd", "potentials": "gpaw", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 6021.7385189533234, "potentials_version": 0.90000000000000002, "project": "dcdft", "width": 0.01, "ecut": 100, "fband": 1.5, "calculator_version": "7.10.2", "ecutsm": 0.0, "tolsym": 9.9999999999999994e-12}


unique_id: c6b7732f253f246b6e1ee856f8b56968
username: dulak
calculator: abinit
data: null
calculator_parameters:
  "\"\\\"\\\\\\\"{\\\\\\\\\\\\\\\"prtwf\\\\\\\\\\\\\\\": 0, \\\\\\\\\\\\\\\"kpts\\\\\\\\\\\\\\\": [14, 14, 14], \\\\\\\\\\\\\\\"ecut\\\\\\\\\\\\\\\": 1360.5697827758654, \\\\\\\\\\\\\\\"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": "Xe", "potentials": "gpaw", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 1312.6647021770477, "potentials_version": 0.90000000000000002, "project": "dcdft", "width": 0.01, "ecut": 100, "fband": 1.5, "calculator_version": "7.10.2", "ecutsm": 0.0, "tolsym": 9.9999999999999994e-12}


unique_id: dd2c080162136df137f5a3e876774227
username: dulak
calculator: abinit
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 804 characters]

key_value_pairs:
  {"x": 1.02, "kptdensity": 16.0, "name": "Sc", "potentials": "gpaw", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 12926.363158941269, "potentials_version": 0.90000000000000002, "project": "dcdft", "width": 0.01, "ecut": 100, "fband": 1.5, "calculator_version": "7.10.2", "ecutsm": 0.0, "tolsym": 9.9999999999999994e-12}


unique_id: eaa3f91afdc4e4d07b5ce09343fe629f
username: dulak
calculator: abinit
data: null
calculator_parameters:
  "\"\\\"\\\\\\\"{\\\\\\\\\\\\\\\"prtwf\\\\\\\\\\\\\\\": 0, \\\\\\\\\\\\\\\"kpts\\\\\\\\\\\\\\\": [14, 14, 14], \\\\\\\\\\\\\\\"ecut\\\\\\\\\\\\\\\": 1360.5697827758654, \\\\\\\\\\\\\\\"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": "Xe", "potentials": "gpaw", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 1400.831885099411, "potentials_version": 0.90000000000000002, "project": "dcdft", "width": 0.01, "ecut": 100, "fband": 1.5, "calculator_version": "7.10.2", "ecutsm": 0.0, "tolsym": 9.9999999999999994e-12}


unique_id: eb2892806f873d9df894ca78b2143ade
username: dulak
calculator: abinit
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 804 characters]

key_value_pairs:
  {"x": 0.97999999999999998, "kptdensity": 16.0, "name": "Cs", "potentials": "gpaw", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 493.7806830406189, "potentials_version": 0.90000000000000002, "project": "dcdft", "width": 0.01, "ecut": 100, "fband": 1.5, "calculator_version": "7.10.2", "ecutsm": 0.0, "tolsym": 9.9999999999999994e-12}


unique_id: 88dfa8ae7bc727a67d687570be50cb8d
username: dulak
calculator: abinit
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 803 characters]

key_value_pairs:
  {"x": 1.01, "kptdensity": 16.0, "name": "P", "potentials": "gpaw", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 17304.247971057892, "potentials_version": 0.90000000000000002, "project": "dcdft", "width": 0.01, "ecut": 100, "fband": 1.5, "calculator_version": "7.10.2", "ecutsm": 0.0, "tolsym": 9.9999999999999994e-12}


unique_id: 61434c0274e59afd24d3c404ddd5b4a1
username: dulak
calculator: abinit
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 804 characters]

key_value_pairs:
  {"x": 0.98999999999999999, "kptdensity": 16.0, "name": "Cs", "potentials": "gpaw", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 487.28807306289673, "potentials_version": 0.90000000000000002, "project": "dcdft", "width": 0.01, "ecut": 100, "fband": 1.5, "calculator_version": "7.10.2", "ecutsm": 0.0, "tolsym": 9.9999999999999994e-12}


unique_id: 9ff72bf0d82f6149f51f06f45439ac00
username: dulak
calculator: abinit
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 804 characters]

key_value_pairs:
  {"x": 1.0, "kptdensity": 16.0, "name": "Cs", "potentials": "gpaw", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 543.86167693138123, "potentials_version": 0.90000000000000002, "project": "dcdft", "width": 0.01, "ecut": 100, "fband": 1.5, "calculator_version": "7.10.2", "ecutsm": 0.0, "tolsym": 9.9999999999999994e-12}


unique_id: 830c546ad97229ccf4484548baf65cf4
username: dulak
calculator: abinit
data: null
calculator_parameters:
  "\"\\\"\\\\\\\"{\\\\\\\\\\\\\\\"prtwf\\\\\\\\\\\\\\\": 0, \\\\\\\\\\\\\\\"kpts\\\\\\\\\\\\\\\": [14, 14, 14], \\\\\\\\\\\\\\\"ecut\\\\\\\\\\\\\\\": 1360.5697827758654, \\\\\\\\\\\\\\\"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": "Xe", "potentials": "gpaw", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 1394.0962488651276, "potentials_version": 0.90000000000000002, "project": "dcdft", "width": 0.01, "ecut": 100, "fband": 1.5, "calculator_version": "7.10.2", "ecutsm": 0.0, "tolsym": 9.9999999999999994e-12}


unique_id: cc4572ef7782f5b22dc15dd12692d664
username: dulak
calculator: abinit
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 804 characters]

key_value_pairs:
  {"x": 1.01, "kptdensity": 16.0, "name": "Cs", "potentials": "gpaw", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 537.00028705596924, "potentials_version": 0.90000000000000002, "project": "dcdft", "width": 0.01, "ecut": 100, "fband": 1.5, "calculator_version": "7.10.2", "ecutsm": 0.0, "tolsym": 9.9999999999999994e-12}


unique_id: 2efe2120df60ccc4c656731387f1058f
username: dulak
calculator: abinit
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 804 characters]

key_value_pairs:
  {"x": 1.01, "kptdensity": 16.0, "name": "Se", "potentials": "gpaw", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 12899.854665994644, "potentials_version": 0.90000000000000002, "project": "dcdft", "width": 0.01, "ecut": 100, "fband": 1.5, "calculator_version": "7.10.2", "ecutsm": 0.0, "tolsym": 9.9999999999999994e-12}


unique_id: c96045cb1ad9bbd60a7efae73576bd97
username: dulak
calculator: abinit
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 804 characters]

key_value_pairs:
  {"x": 1.02, "kptdensity": 16.0, "name": "Cs", "potentials": "gpaw", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 499.86572599411011, "potentials_version": 0.90000000000000002, "project": "dcdft", "width": 0.01, "ecut": 100, "fband": 1.5, "calculator_version": "7.10.2", "ecutsm": 0.0, "tolsym": 9.9999999999999994e-12}


unique_id: 65ef07acfd881c5e7428f899ba609649
username: dulak
calculator: abinit
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 804 characters]

key_value_pairs:
  {"x": 0.97999999999999998, "kptdensity": 16.0, "name": "Ba", "potentials": "gpaw", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 362.4459490776062, "potentials_version": 0.90000000000000002, "project": "dcdft", "width": 0.01, "ecut": 100, "fband": 1.5, "calculator_version": "7.10.2", "ecutsm": 0.0, "tolsym": 9.9999999999999994e-12}


unique_id: e1307cdcfcd4b460c91e2492053bf398
username: dulak
calculator: abinit
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 804 characters]

key_value_pairs:
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username: dulak
calculator: abinit
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calculator_parameters:
[cell repeats an earlier one in this file: 804 characters]

key_value_pairs:
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calculator: abinit
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[cell repeats an earlier one in this file: 804 characters]

key_value_pairs:
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username: dulak
calculator: abinit
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[cell repeats an earlier one in this file: 804 characters]

key_value_pairs:
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key_value_pairs:
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username: dulak
calculator: abinit
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[cell repeats an earlier one in this file: 804 characters]

key_value_pairs:
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unique_id: 267e411b508d9cbe4d81be359868a860
username: dulak
calculator: abinit
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[cell repeats an earlier one in this file: 804 characters]

key_value_pairs:
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key_value_pairs:
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username: dulak
calculator: abinit
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calculator_parameters:
[cell repeats an earlier one in this file: 804 characters]

key_value_pairs:
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unique_id: 6ee936222383b41049564ab844cf5d53
username: dulak
calculator: abinit
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calculator_parameters:
[cell repeats an earlier one in this file: 804 characters]

key_value_pairs:
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unique_id: e97449c261d99653e48113b7e34b6ff8
username: dulak
calculator: abinit
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calculator_parameters:
[cell repeats an earlier one in this file: 804 characters]

key_value_pairs:
  {"x": 0.97999999999999998, "kptdensity": 16.0, "name": "Ta", "potentials": "gpaw", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 521.98291802406311, "potentials_version": 0.90000000000000002, "project": "dcdft", "width": 0.01, "ecut": 100, "fband": 1.5, "calculator_version": "7.10.2", "ecutsm": 0.0, "tolsym": 9.9999999999999994e-12}


unique_id: 45f28cd979c143d23aa86ddb07b50f62
username: dulak
calculator: abinit
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calculator_parameters:
[cell repeats an earlier one in this file: 804 characters]

key_value_pairs:
  {"x": 0.97999999999999998, "kptdensity": 16.0, "name": "W", "potentials": "gpaw", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 572.13682007789612, "potentials_version": 0.90000000000000002, "project": "dcdft", "width": 0.01, "ecut": 100, "fband": 1.5, "calculator_version": "7.10.2", "ecutsm": 0.0, "tolsym": 9.9999999999999994e-12}


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username: dulak
calculator: abinit
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[cell repeats an earlier one in this file: 804 characters]

key_value_pairs:
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username: dulak
calculator: abinit
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[cell repeats an earlier one in this file: 804 characters]

key_value_pairs:
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username: dulak
calculator: abinit
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[cell repeats an earlier one in this file: 804 characters]

key_value_pairs:
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username: dulak
calculator: abinit
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[cell repeats an earlier one in this file: 804 characters]

key_value_pairs:
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unique_id: 82ed13532f8fd896ac2768c34f267307
username: dulak
calculator: abinit
data: null
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[cell repeats an earlier one in this file: 804 characters]

key_value_pairs:
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username: dulak
calculator: abinit
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 804 characters]

key_value_pairs:
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unique_id: c0f111cd085d3f61174ed8018b4b9148
username: dulak
calculator: abinit
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 804 characters]

key_value_pairs:
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calculator: abinit
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unique_id: d2b7a702ad871f2c83c7bc5ad4422c92
username: dulak
calculator: abinit
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 804 characters]

key_value_pairs:
  {"x": 1.02, "kptdensity": 16.0, "name": "Ta", "potentials": "gpaw", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 743.69905114173889, "potentials_version": 0.90000000000000002, "project": "dcdft", "width": 0.01, "ecut": 100, "fband": 1.5, "calculator_version": "7.10.2", "ecutsm": 0.0, "tolsym": 9.9999999999999994e-12}


unique_id: f13bb391c3af2e2948d277e9862a94ab
username: dulak
calculator: abinit
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 804 characters]

key_value_pairs:
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unique_id: 1f532942560e2cbeb6574849a64b4c76
username: dulak
calculator: abinit
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 804 characters]

key_value_pairs:
  {"x": 0.97999999999999998, "kptdensity": 16.0, "name": "Hf", "potentials": "gpaw", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 4651.5983309745789, "potentials_version": 0.90000000000000002, "project": "dcdft", "width": 0.01, "ecut": 100, "fband": 1.5, "calculator_version": "7.10.2", "ecutsm": 0.0, "tolsym": 9.9999999999999994e-12}


unique_id: d667f5dfd40de4133544270f700c86c6
username: dulak
calculator: abinit
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 804 characters]

key_value_pairs:
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unique_id: 62b9a2346f12ef8fbfe5d1191cb033d4
username: dulak
calculator: abinit
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 804 characters]

key_value_pairs:
  {"x": 1.01, "kptdensity": 16.0, "name": "Zn", "potentials": "gpaw", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 18306.248534917831, "potentials_version": 0.90000000000000002, "project": "dcdft", "width": 0.01, "ecut": 100, "fband": 1.5, "calculator_version": "7.10.2", "ecutsm": 0.0, "tolsym": 9.9999999999999994e-12}


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username: dulak
calculator: abinit
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calculator_parameters:
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unique_id: ba2ac81864fd47753ce9f5003e9d7063
username: dulak
calculator: abinit
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 804 characters]

key_value_pairs:
  {"x": 0.97999999999999998, "kptdensity": 16.0, "name": "Sn", "potentials": "gpaw", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 20246.302169084549, "potentials_version": 0.90000000000000002, "project": "dcdft", "width": 0.01, "ecut": 100, "fband": 1.5, "calculator_version": "7.10.2", "ecutsm": 0.0, "tolsym": 9.9999999999999994e-12}


unique_id: e6a81f29d98d47a23f2e5cf8a7f2d19c
username: dulak
calculator: abinit
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 804 characters]

key_value_pairs:
  {"x": 1.01, "kptdensity": 16.0, "name": "Br", "potentials": "gpaw", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 15413.018175125122, "potentials_version": 0.90000000000000002, "project": "dcdft", "width": 0.01, "ecut": 100, "fband": 1.5, "calculator_version": "7.10.2", "ecutsm": 0.0, "tolsym": 9.9999999999999994e-12}


unique_id: 8609acbcee52eb9e968328e75946fb87
username: dulak
calculator: abinit
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 804 characters]

key_value_pairs:
  {"x": 0.98999999999999999, "kptdensity": 16.0, "name": "Hf", "potentials": "gpaw", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 5109.6254560947418, "potentials_version": 0.90000000000000002, "project": "dcdft", "width": 0.01, "ecut": 100, "fband": 1.5, "calculator_version": "7.10.2", "ecutsm": 0.0, "tolsym": 9.9999999999999994e-12}


unique_id: 5c75f51d7cc830b9ff8ac8c7402b7cf7
username: dulak
calculator: abinit
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 804 characters]

key_value_pairs:
  {"x": 1.02, "kptdensity": 16.0, "name": "Ru", "potentials": "gpaw", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 9219.5810778141022, "potentials_version": 0.90000000000000002, "project": "dcdft", "width": 0.01, "ecut": 100, "fband": 1.5, "calculator_version": "7.10.2", "ecutsm": 0.0, "tolsym": 9.9999999999999994e-12}


unique_id: 7cbb3a72d9cba6c25c593ca5f3d9f019
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calculator: abinit
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calculator_parameters:
  "\"\\\"\\\\\\\"{\\\\\\\\\\\\\\\"prtwf\\\\\\\\\\\\\\\": 0, \\\\\\\\\\\\\\\"kpts\\\\\\\\\\\\\\\": [26, 26, 16], \\\\\\\\\\\\\\\"ecut\\\\\\\\\\\\\\\": 1360.5697827758654, \\\\\\\\\\\\\\\"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": "Te", "potentials": "gpaw", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 10795.211771011353, "potentials_version": 0.90000000000000002, "project": "dcdft", "width": 0.01, "ecut": 100, "fband": 1.5, "calculator_version": "7.10.2", "ecutsm": 0.0, "tolsym": 9.9999999999999994e-12}


unique_id: 103aee2b1c0bb53803cb84d8fa1c2de5
username: dulak
calculator: abinit
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 804 characters]

key_value_pairs:
  {"x": 1.02, "kptdensity": 16.0, "name": "Se", "potentials": "gpaw", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 12868.625143051147, "potentials_version": 0.90000000000000002, "project": "dcdft", "width": 0.01, "ecut": 100, "fband": 1.5, "calculator_version": "7.10.2", "ecutsm": 0.0, "tolsym": 9.9999999999999994e-12}


unique_id: f3a7cec77f679d4543f66febcdc60aa2
username: dulak
calculator: abinit
data: null
calculator_parameters:
  "\"\\\"\\\\\\\"{\\\\\\\\\\\\\\\"prtwf\\\\\\\\\\\\\\\": 0, \\\\\\\\\\\\\\\"kpts\\\\\\\\\\\\\\\": [42, 42, 22], \\\\\\\\\\\\\\\"ecut\\\\\\\\\\\\\\\": 1360.5697827758654, \\\\\\\\\\\\\\\"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": "Re", "potentials": "gpaw", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 8209.284628868103, "potentials_version": 0.90000000000000002, "project": "dcdft", "width": 0.01, "ecut": 100, "fband": 1.5, "calculator_version": "7.10.2", "ecutsm": 0.0, "tolsym": 9.9999999999999994e-12}


unique_id: 7c705af10ce3d9e378d947edde6dd98c
username: dulak
calculator: abinit
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 804 characters]

key_value_pairs:
  {"x": 0.97999999999999998, "kptdensity": 16.0, "name": "Ir", "potentials": "gpaw", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 2199.257395029068, "potentials_version": 0.90000000000000002, "project": "dcdft", "width": 0.01, "ecut": 100, "fband": 1.5, "calculator_version": "7.10.2", "ecutsm": 0.0, "tolsym": 9.9999999999999994e-12}


unique_id: 6a8a349295a744ff2953fcc5f3ed3912
username: dulak
calculator: abinit
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 804 characters]

key_value_pairs:
  {"x": 0.97999999999999998, "kptdensity": 16.0, "name": "Os", "potentials": "gpaw", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 9663.2299430370331, "potentials_version": 0.90000000000000002, "project": "dcdft", "width": 0.01, "ecut": 100, "fband": 1.5, "calculator_version": "7.10.2", "ecutsm": 0.0, "tolsym": 9.9999999999999994e-12}


unique_id: 9d56fb88de7f1ab50ea69b067d5ad89c
username: dulak
calculator: abinit
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 803 characters]

key_value_pairs:
  {"x": 1.02, "kptdensity": 16.0, "name": "P", "potentials": "gpaw", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 16991.58827495575, "potentials_version": 0.90000000000000002, "project": "dcdft", "width": 0.01, "ecut": 100, "fband": 1.5, "calculator_version": "7.10.2", "ecutsm": 0.0, "tolsym": 9.9999999999999994e-12}


unique_id: 568d68951479a18829ba2b6b5cd47da9
username: dulak
calculator: abinit
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 804 characters]

key_value_pairs:
  {"x": 1.02, "kptdensity": 16.0, "name": "Cd", "potentials": "gpaw", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 6727.687343120575, "potentials_version": 0.90000000000000002, "project": "dcdft", "width": 0.01, "ecut": 100, "fband": 1.5, "calculator_version": "7.10.2", "ecutsm": 0.0, "tolsym": 9.9999999999999994e-12}


unique_id: 158b6399a16b139faa54fc6eaf19dad1
username: dulak
calculator: abinit
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 804 characters]

key_value_pairs:
  {"x": 0.97999999999999998, "kptdensity": 16.0, "name": "Pt", "potentials": "gpaw", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 3177.3028771877289, "potentials_version": 0.90000000000000002, "project": "dcdft", "width": 0.01, "ecut": 100, "fband": 1.5, "calculator_version": "7.10.2", "ecutsm": 0.0, "tolsym": 9.9999999999999994e-12}


unique_id: 85882133e9024d3c1054e9f92d90ccfb
username: dulak
calculator: abinit
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 804 characters]

key_value_pairs:
  {"x": 0.97999999999999998, "kptdensity": 16.0, "name": "Au", "potentials": "gpaw", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 1396.2355308532715, "potentials_version": 0.90000000000000002, "project": "dcdft", "width": 0.01, "ecut": 100, "fband": 1.5, "calculator_version": "7.10.2", "ecutsm": 0.0, "tolsym": 9.9999999999999994e-12}


unique_id: 2952aa5e8bc66eec4029fcf0fd935390
username: dulak
calculator: abinit
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 804 characters]

key_value_pairs:
  {"x": 0.98999999999999999, "kptdensity": 16.0, "name": "Ir", "potentials": "gpaw", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 2218.7965960502625, "potentials_version": 0.90000000000000002, "project": "dcdft", "width": 0.01, "ecut": 100, "fband": 1.5, "calculator_version": "7.10.2", "ecutsm": 0.0, "tolsym": 9.9999999999999994e-12}


unique_id: 66911a367c76a20dc34fee6076e15c13
username: dulak
calculator: abinit
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 804 characters]

key_value_pairs:
  {"x": 1.0, "kptdensity": 16.0, "name": "Hf", "potentials": "gpaw", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 5215.3343091011047, "potentials_version": 0.90000000000000002, "project": "dcdft", "width": 0.01, "ecut": 100, "fband": 1.5, "calculator_version": "7.10.2", "ecutsm": 0.0, "tolsym": 9.9999999999999994e-12}


unique_id: 2298bf3df724beee764d861f0abb6479
username: dulak
calculator: abinit
data: null
calculator_parameters:
  "\"\\\"\\\\\\\"{\\\\\\\\\\\\\\\"prtwf\\\\\\\\\\\\\\\": 0, \\\\\\\\\\\\\\\"kpts\\\\\\\\\\\\\\\": [24, 24, 28], \\\\\\\\\\\\\\\"ecut\\\\\\\\\\\\\\\": 1360.5697827758654, \\\\\\\\\\\\\\\"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": "Hg", "potentials": "gpaw", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 2344.8623728752136, "potentials_version": 0.90000000000000002, "project": "dcdft", "width": 0.01, "ecut": 100, "fband": 1.5, "calculator_version": "7.10.2", "ecutsm": 0.0, "tolsym": 9.9999999999999994e-12}


unique_id: 2947e07f01c67fc8b6beecb7d370203e
username: dulak
calculator: abinit
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 804 characters]

key_value_pairs:
  {"x": 0.98999999999999999, "kptdensity": 16.0, "name": "Au", "potentials": "gpaw", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 1394.9091038703918, "potentials_version": 0.90000000000000002, "project": "dcdft", "width": 0.01, "ecut": 100, "fband": 1.5, "calculator_version": "7.10.2", "ecutsm": 0.0, "tolsym": 9.9999999999999994e-12}


unique_id: 52080c44afcda669567ccadfa24b0e01
username: dulak
calculator: abinit
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 804 characters]

key_value_pairs:
  {"x": 1.0, "kptdensity": 16.0, "name": "Cl", "potentials": "gpaw", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 30065.02651309967, "potentials_version": 0.90000000000000002, "project": "dcdft", "width": 0.01, "ecut": 100, "fband": 1.5, "calculator_version": "7.10.2", "ecutsm": 0.0, "tolsym": 9.9999999999999994e-12}


unique_id: 7323b2a31edd03004e887b240f13c5b3
username: dulak
calculator: abinit
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 804 characters]

key_value_pairs:
  {"x": 0.98999999999999999, "kptdensity": 16.0, "name": "Pt", "potentials": "gpaw", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 2867.1050560474396, "potentials_version": 0.90000000000000002, "project": "dcdft", "width": 0.01, "ecut": 100, "fband": 1.5, "calculator_version": "7.10.2", "ecutsm": 0.0, "tolsym": 9.9999999999999994e-12}


unique_id: 4d82263c2b7e6ebffcf0367fbccbc9fb
username: dulak
calculator: abinit
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 804 characters]

key_value_pairs:
  {"x": 1.0, "kptdensity": 16.0, "name": "Ir", "potentials": "gpaw", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 2441.1395809650421, "potentials_version": 0.90000000000000002, "project": "dcdft", "width": 0.01, "ecut": 100, "fband": 1.5, "calculator_version": "7.10.2", "ecutsm": 0.0, "tolsym": 9.9999999999999994e-12}


unique_id: 5fdf76b7346ac70cb6a45588e703edc6
username: dulak
calculator: abinit
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 804 characters]

key_value_pairs:
  {"x": 1.0, "kptdensity": 16.0, "name": "Au", "potentials": "gpaw", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 1582.1491549015045, "potentials_version": 0.90000000000000002, "project": "dcdft", "width": 0.01, "ecut": 100, "fband": 1.5, "calculator_version": "7.10.2", "ecutsm": 0.0, "tolsym": 9.9999999999999994e-12}


unique_id: 3efac7deceac21b3f19df3aa9da73890
username: dulak
calculator: abinit
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 804 characters]

key_value_pairs:
  {"x": 0.97999999999999998, "kptdensity": 16.0, "name": "Li", "potentials": "gpaw", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 13330.095963954926, "potentials_version": 0.90000000000000002, "project": "dcdft", "width": 0.01, "ecut": 100, "fband": 1.5, "calculator_version": "7.10.2", "ecutsm": 0.0, "tolsym": 9.9999999999999994e-12}


unique_id: 89ed189319c0b1b6f4b7ee41aad186e1
username: dulak
calculator: abinit
data: null
calculator_parameters:
  "\"\\\"\\\\\\\"{\\\\\\\\\\\\\\\"prtwf\\\\\\\\\\\\\\\": 0, \\\\\\\\\\\\\\\"kpts\\\\\\\\\\\\\\\": [24, 24, 28], \\\\\\\\\\\\\\\"ecut\\\\\\\\\\\\\\\": 1360.5697827758654, \\\\\\\\\\\\\\\"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": "Hg", "potentials": "gpaw", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 2436.9904570579529, "potentials_version": 0.90000000000000002, "project": "dcdft", "width": 0.01, "ecut": 100, "fband": 1.5, "calculator_version": "7.10.2", "ecutsm": 0.0, "tolsym": 9.9999999999999994e-12}


unique_id: 8525a5896e3590a45c343c734cf255ae
username: dulak
calculator: abinit
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 804 characters]

key_value_pairs:
  {"x": 1.01, "kptdensity": 16.0, "name": "Au", "potentials": "gpaw", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 1485.3444740772247, "potentials_version": 0.90000000000000002, "project": "dcdft", "width": 0.01, "ecut": 100, "fband": 1.5, "calculator_version": "7.10.2", "ecutsm": 0.0, "tolsym": 9.9999999999999994e-12}


unique_id: a89358e0451f2ba52c43cf698d993f16
username: dulak
calculator: abinit
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 804 characters]

key_value_pairs:
  {"x": 1.0, "kptdensity": 16.0, "name": "Pt", "potentials": "gpaw", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 2881.6288108825684, "potentials_version": 0.90000000000000002, "project": "dcdft", "width": 0.01, "ecut": 100, "fband": 1.5, "calculator_version": "7.10.2", "ecutsm": 0.0, "tolsym": 9.9999999999999994e-12}


unique_id: 38d875c8ac312aaeaef44a4280b2a8b1
username: dulak
calculator: abinit
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 804 characters]

key_value_pairs:
  {"x": 1.01, "kptdensity": 16.0, "name": "Ir", "potentials": "gpaw", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 2680.3236079216003, "potentials_version": 0.90000000000000002, "project": "dcdft", "width": 0.01, "ecut": 100, "fband": 1.5, "calculator_version": "7.10.2", "ecutsm": 0.0, "tolsym": 9.9999999999999994e-12}


unique_id: 9ddcb1fc0fb7b40243bf8e072b0a2004
username: dulak
calculator: abinit
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 804 characters]

key_value_pairs:
  {"x": 1.01, "kptdensity": 16.0, "name": "Hf", "potentials": "gpaw", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 5480.7632119655609, "potentials_version": 0.90000000000000002, "project": "dcdft", "width": 0.01, "ecut": 100, "fband": 1.5, "calculator_version": "7.10.2", "ecutsm": 0.0, "tolsym": 9.9999999999999994e-12}


unique_id: e5a3b7f3476fdf608726402fcf8849b0
username: dulak
calculator: abinit
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 804 characters]

key_value_pairs:
  {"x": 1.02, "kptdensity": 16.0, "name": "Au", "potentials": "gpaw", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 1444.7526500225067, "potentials_version": 0.90000000000000002, "project": "dcdft", "width": 0.01, "ecut": 100, "fband": 1.5, "calculator_version": "7.10.2", "ecutsm": 0.0, "tolsym": 9.9999999999999994e-12}


unique_id: 3c01d9605a62a2543027156ca6909a71
username: dulak
calculator: abinit
data: null
calculator_parameters:
  "\"\\\"\\\\\\\"{\\\\\\\\\\\\\\\"prtwf\\\\\\\\\\\\\\\": 0, \\\\\\\\\\\\\\\"kpts\\\\\\\\\\\\\\\": [24, 24, 28], \\\\\\\\\\\\\\\"ecut\\\\\\\\\\\\\\\": 1360.5697827758654, \\\\\\\\\\\\\\\"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": "Hg", "potentials": "gpaw", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 2640.9036560058594, "potentials_version": 0.90000000000000002, "project": "dcdft", "width": 0.01, "ecut": 100, "fband": 1.5, "calculator_version": "7.10.2", "ecutsm": 0.0, "tolsym": 9.9999999999999994e-12}


unique_id: f6924f2d26a4203ccd1ef5cb7caf387a
username: dulak
calculator: abinit
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 804 characters]

key_value_pairs:
  {"x": 0.98999999999999999, "kptdensity": 16.0, "name": "Os", "potentials": "gpaw", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 8817.5535781383514, "potentials_version": 0.90000000000000002, "project": "dcdft", "width": 0.01, "ecut": 100, "fband": 1.5, "calculator_version": "7.10.2", "ecutsm": 0.0, "tolsym": 9.9999999999999994e-12}


unique_id: 8c6816d8dfb8a70b72a3c643fcb16fd6
username: dulak
calculator: abinit
data: null
calculator_parameters:
  "\"\\\"\\\\\\\"{\\\\\\\\\\\\\\\"prtwf\\\\\\\\\\\\\\\": 0, \\\\\\\\\\\\\\\"kpts\\\\\\\\\\\\\\\": [26, 26, 16], \\\\\\\\\\\\\\\"ecut\\\\\\\\\\\\\\\": 1360.5697827758654, \\\\\\\\\\\\\\\"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": "Te", "potentials": "gpaw", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 11786.779623031616, "potentials_version": 0.90000000000000002, "project": "dcdft", "width": 0.01, "ecut": 100, "fband": 1.5, "calculator_version": "7.10.2", "ecutsm": 0.0, "tolsym": 9.9999999999999994e-12}


unique_id: 84511b0688c292c04f7f5edb85f71521
username: dulak
calculator: abinit
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 804 characters]

key_value_pairs:
  {"x": 1.02, "kptdensity": 16.0, "name": "Zn", "potentials": "gpaw", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 15383.453171014786, "potentials_version": 0.90000000000000002, "project": "dcdft", "width": 0.01, "ecut": 100, "fband": 1.5, "calculator_version": "7.10.2", "ecutsm": 0.0, "tolsym": 9.9999999999999994e-12}


unique_id: 7ee1311100818a694cf76f9125fdf956
username: dulak
calculator: abinit
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 804 characters]

key_value_pairs:
  {"x": 1.01, "kptdensity": 16.0, "name": "Pt", "potentials": "gpaw", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 2992.4815349578857, "potentials_version": 0.90000000000000002, "project": "dcdft", "width": 0.01, "ecut": 100, "fband": 1.5, "calculator_version": "7.10.2", "ecutsm": 0.0, "tolsym": 9.9999999999999994e-12}


unique_id: 5d46c019b63653d66bf8a24b7036b9ad
username: dulak
calculator: abinit
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calculator_parameters:
[cell repeats an earlier one in this file: 804 characters]

key_value_pairs:
  {"x": 1.02, "kptdensity": 16.0, "name": "Ir", "potentials": "gpaw", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 2693.0994031429291, "potentials_version": 0.90000000000000002, "project": "dcdft", "width": 0.01, "ecut": 100, "fband": 1.5, "calculator_version": "7.10.2", "ecutsm": 0.0, "tolsym": 9.9999999999999994e-12}


unique_id: a6cd5044905a4c262feade34d304da9b
username: dulak
calculator: abinit
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key_value_pairs:
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username: dulak
calculator: abinit
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key_value_pairs:
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unique_id: d8f5721fd094eb56fcbbac6307e0f600
username: dulak
calculator: abinit
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 804 characters]

key_value_pairs:
  {"x": 1.01, "kptdensity": 16.0, "name": "Hg", "potentials": "gpaw", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 2707.4133460521698, "potentials_version": 0.90000000000000002, "project": "dcdft", "width": 0.01, "ecut": 100, "fband": 1.5, "calculator_version": "7.10.2", "ecutsm": 0.0, "tolsym": 9.9999999999999994e-12}


unique_id: 65cb5dba55dfb4bf9d4df40c69229fea
username: dulak
calculator: abinit
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 804 characters]

key_value_pairs:
  {"x": 0.97999999999999998, "kptdensity": 16.0, "name": "Pb", "potentials": "gpaw", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 2051.3530561923981, "potentials_version": 0.90000000000000002, "project": "dcdft", "width": 0.01, "ecut": 100, "fband": 1.5, "calculator_version": "7.10.2", "ecutsm": 0.0, "tolsym": 9.9999999999999994e-12}


unique_id: 5fd79aeebac16e796496e8da7f7c6629
username: dulak
calculator: abinit
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 804 characters]

key_value_pairs:
  {"x": 1.02, "kptdensity": 16.0, "name": "Br", "potentials": "gpaw", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 16676.230990886688, "potentials_version": 0.90000000000000002, "project": "dcdft", "width": 0.01, "ecut": 100, "fband": 1.5, "calculator_version": "7.10.2", "ecutsm": 0.0, "tolsym": 9.9999999999999994e-12}


unique_id: 4324bfa3f64a34a6090b5330e2849b15
username: dulak
calculator: abinit
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 804 characters]

key_value_pairs:
  {"x": 1.02, "kptdensity": 16.0, "name": "Pt", "potentials": "gpaw", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 2831.6742088794708, "potentials_version": 0.90000000000000002, "project": "dcdft", "width": 0.01, "ecut": 100, "fband": 1.5, "calculator_version": "7.10.2", "ecutsm": 0.0, "tolsym": 9.9999999999999994e-12}


unique_id: 22b57584f243197e106ac8d053eaca47
username: dulak
calculator: abinit
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 804 characters]

key_value_pairs:
  {"x": 1.02, "kptdensity": 16.0, "name": "Hf", "potentials": "gpaw", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 5647.4619429111481, "potentials_version": 0.90000000000000002, "project": "dcdft", "width": 0.01, "ecut": 100, "fband": 1.5, "calculator_version": "7.10.2", "ecutsm": 0.0, "tolsym": 9.9999999999999994e-12}


unique_id: bb2190c87c3ab3f94f6862b2a099ec34
username: dulak
calculator: abinit
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 804 characters]

key_value_pairs:
  {"x": 0.98999999999999999, "kptdensity": 16.0, "name": "Pb", "potentials": "gpaw", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 2148.8984861373901, "potentials_version": 0.90000000000000002, "project": "dcdft", "width": 0.01, "ecut": 100, "fband": 1.5, "calculator_version": "7.10.2", "ecutsm": 0.0, "tolsym": 9.9999999999999994e-12}


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username: dulak
calculator: abinit
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 804 characters]

key_value_pairs:
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unique_id: c08aab33437d0394601d1a08c5ace8d3
username: dulak
calculator: abinit
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 804 characters]

key_value_pairs:
  {"x": 0.97999999999999998, "kptdensity": 16.0, "name": "Rn", "potentials": "gpaw", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 1562.1801149845123, "potentials_version": 0.90000000000000002, "project": "dcdft", "width": 0.01, "ecut": 100, "fband": 1.5, "calculator_version": "7.10.2", "ecutsm": 0.0, "tolsym": 9.9999999999999994e-12}


unique_id: 1167b26e2218598f7db42f26a82ce1cf
username: dulak
calculator: abinit
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 804 characters]

key_value_pairs:
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unique_id: a12662fda5b46f5f36ac613d4e0018bf
username: dulak
calculator: abinit
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 804 characters]

key_value_pairs:
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unique_id: c5c78f28535c747b1475980f32d45905
username: dulak
calculator: abinit
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 804 characters]

key_value_pairs:
  {"x": 0.98999999999999999, "kptdensity": 16.0, "name": "Sn", "potentials": "gpaw", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 20897.999709129333, "potentials_version": 0.90000000000000002, "project": "dcdft", "width": 0.01, "ecut": 100, "fband": 1.5, "calculator_version": "7.10.2", "ecutsm": 0.0, "tolsym": 9.9999999999999994e-12}


unique_id: 1488363ffc80dcfc15350e3a0ab41e39
username: dulak
calculator: abinit
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 804 characters]

key_value_pairs:
  {"x": 1.0, "kptdensity": 16.0, "name": "Pb", "potentials": "gpaw", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 2227.3247139453888, "potentials_version": 0.90000000000000002, "project": "dcdft", "width": 0.01, "ecut": 100, "fband": 1.5, "calculator_version": "7.10.2", "ecutsm": 0.0, "tolsym": 9.9999999999999994e-12}


unique_id: 389c39ea5e8c7a24889f4ad9d720fbe8
username: dulak
calculator: abinit
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key_value_pairs:
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unique_id: af084dfd996b0fd57e14643e6c93f889
username: dulak
calculator: abinit
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 804 characters]

key_value_pairs:
  {"x": 1.0, "kptdensity": 16.0, "name": "Rn", "potentials": "gpaw", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 1691.3002099990845, "potentials_version": 0.90000000000000002, "project": "dcdft", "width": 0.01, "ecut": 100, "fband": 1.5, "calculator_version": "7.10.2", "ecutsm": 0.0, "tolsym": 9.9999999999999994e-12}


unique_id: d51415ee1dd86ad3e97b67706ac05989
username: dulak
calculator: abinit
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 804 characters]

key_value_pairs:
  {"x": 1.01, "kptdensity": 16.0, "name": "Pb", "potentials": "gpaw", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 2225.0642831325531, "potentials_version": 0.90000000000000002, "project": "dcdft", "width": 0.01, "ecut": 100, "fband": 1.5, "calculator_version": "7.10.2", "ecutsm": 0.0, "tolsym": 9.9999999999999994e-12}


unique_id: 1f1138804288b500745846f3809beeec
username: dulak
calculator: abinit
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 804 characters]

key_value_pairs:
  {"x": 0.98999999999999999, "kptdensity": 16.0, "name": "Li", "potentials": "gpaw", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 13325.125412940979, "potentials_version": 0.90000000000000002, "project": "dcdft", "width": 0.01, "ecut": 100, "fband": 1.5, "calculator_version": "7.10.2", "ecutsm": 0.0, "tolsym": 9.9999999999999994e-12}


unique_id: 7ad3aa117ca5d18baf5a52cc4245f270
username: dulak
calculator: abinit
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 804 characters]

key_value_pairs:
  {"x": 1.01, "kptdensity": 16.0, "name": "Rn", "potentials": "gpaw", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 1708.5722990036011, "potentials_version": 0.90000000000000002, "project": "dcdft", "width": 0.01, "ecut": 100, "fband": 1.5, "calculator_version": "7.10.2", "ecutsm": 0.0, "tolsym": 9.9999999999999994e-12}


unique_id: b19a3079e309a891f1136596524773ba
username: dulak
calculator: abinit
data: null
calculator_parameters:
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key_value_pairs:
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unique_id: f5a0075fbae48d4f5f9f3b56e2de374b
username: dulak
calculator: abinit
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 804 characters]

key_value_pairs:
  {"x": 1.0, "kptdensity": 16.0, "name": "Os", "potentials": "gpaw", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 11046.974234104156, "potentials_version": 0.90000000000000002, "project": "dcdft", "width": 0.01, "ecut": 100, "fband": 1.5, "calculator_version": "7.10.2", "ecutsm": 0.0, "tolsym": 9.9999999999999994e-12}


unique_id: 94deb03acae2b00f2a369ad82672a2bc
username: dulak
calculator: abinit
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 804 characters]

key_value_pairs:
  {"x": 1.02, "kptdensity": 16.0, "name": "Pb", "potentials": "gpaw", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 2282.0844550132751, "potentials_version": 0.90000000000000002, "project": "dcdft", "width": 0.01, "ecut": 100, "fband": 1.5, "calculator_version": "7.10.2", "ecutsm": 0.0, "tolsym": 9.9999999999999994e-12}


unique_id: ff8b4416c5e9a2d09485bb5df42f2017
username: dulak
calculator: abinit
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 804 characters]

key_value_pairs:
  {"x": 1.02, "kptdensity": 16.0, "name": "Rn", "potentials": "gpaw", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 1848.9457061290741, "potentials_version": 0.90000000000000002, "project": "dcdft", "width": 0.01, "ecut": 100, "fband": 1.5, "calculator_version": "7.10.2", "ecutsm": 0.0, "tolsym": 9.9999999999999994e-12}


unique_id: c7a462bd9dada71a96ab4852235366c0
username: dulak
calculator: abinit
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 804 characters]

key_value_pairs:
  {"x": 1.01, "kptdensity": 16.0, "name": "Te", "potentials": "gpaw", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 12387.119390964508, "potentials_version": 0.90000000000000002, "project": "dcdft", "width": 0.01, "ecut": 100, "fband": 1.5, "calculator_version": "7.10.2", "ecutsm": 0.0, "tolsym": 9.9999999999999994e-12}


unique_id: e76afa8db9690e39bf7538ac85db1916
username: dulak
calculator: abinit
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 804 characters]

key_value_pairs:
  {"x": 0.98999999999999999, "kptdensity": 16.0, "name": "Tl", "potentials": "gpaw", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 7008.4595031738281, "potentials_version": 0.90000000000000002, "project": "dcdft", "width": 0.01, "ecut": 100, "fband": 1.5, "calculator_version": "7.10.2", "ecutsm": 0.0, "tolsym": 9.9999999999999994e-12}


unique_id: 6c818b2cdd968f791248957f937e5280
username: dulak
calculator: abinit
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calculator_parameters:
  "\"\\\"\\\\\\\"{\\\\\\\\\\\\\\\"prtwf\\\\\\\\\\\\\\\": 0, \\\\\\\\\\\\\\\"kpts\\\\\\\\\\\\\\\": [30, 30, 10], \\\\\\\\\\\\\\\"ecut\\\\\\\\\\\\\\\": 1360.5697827758654, \\\\\\\\\\\\\\\"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:
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unique_id: 691d8192e3bd87ec29f1fdf96b4a311b
username: dulak
calculator: abinit
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calculator_parameters:
  "\"\\\"\\\\\\\"{\\\\\\\\\\\\\\\"prtwf\\\\\\\\\\\\\\\": 0, \\\\\\\\\\\\\\\"kpts\\\\\\\\\\\\\\\": [12, 22, 10], \\\\\\\\\\\\\\\"ecut\\\\\\\\\\\\\\\": 1360.5697827758654, \\\\\\\\\\\\\\\"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:
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unique_id: 513d09c206d964300294536c4fd35e08
username: dulak
calculator: abinit
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 804 characters]

key_value_pairs:
  {"x": 1.0, "kptdensity": 16.0, "name": "Tl", "potentials": "gpaw", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 7003.4999620914459, "potentials_version": 0.90000000000000002, "project": "dcdft", "width": 0.01, "ecut": 100, "fband": 1.5, "calculator_version": "7.10.2", "ecutsm": 0.0, "tolsym": 9.9999999999999994e-12}


unique_id: 26bb1ba25409f8a27610c2ba5f707c03
username: dulak
calculator: abinit
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 804 characters]

key_value_pairs:
  {"x": 1.01, "kptdensity": 16.0, "name": "Os", "potentials": "gpaw", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 9631.6144020557404, "potentials_version": 0.90000000000000002, "project": "dcdft", "width": 0.01, "ecut": 100, "fband": 1.5, "calculator_version": "7.10.2", "ecutsm": 0.0, "tolsym": 9.9999999999999994e-12}


unique_id: 36ff5d6a3c6472e4f17d04d1174d1d33
username: dulak
calculator: abinit
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 804 characters]

key_value_pairs:
  {"x": 1.01, "kptdensity": 16.0, "name": "Re", "potentials": "gpaw", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 11339.467742919922, "potentials_version": 0.90000000000000002, "project": "dcdft", "width": 0.01, "ecut": 100, "fband": 1.5, "calculator_version": "7.10.2", "ecutsm": 0.0, "tolsym": 9.9999999999999994e-12}


unique_id: cb3572ba600b7aa305c765b7335d168d
username: dulak
calculator: abinit
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 804 characters]

key_value_pairs:
  {"x": 1.0, "kptdensity": 16.0, "name": "Li", "potentials": "gpaw", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 13511.147570133209, "potentials_version": 0.90000000000000002, "project": "dcdft", "width": 0.01, "ecut": 100, "fband": 1.5, "calculator_version": "7.10.2", "ecutsm": 0.0, "tolsym": 9.9999999999999994e-12}


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username: dulak
calculator: abinit
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 804 characters]

key_value_pairs:
  {"x": 1.02, "kptdensity": 16.0, "name": "Te", "potentials": "gpaw", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 12523.868564844131, "potentials_version": 0.90000000000000002, "project": "dcdft", "width": 0.01, "ecut": 100, "fband": 1.5, "calculator_version": "7.10.2", "ecutsm": 0.0, "tolsym": 9.9999999999999994e-12}


unique_id: e4e145ffdfb1a83e3f29123b49073e2e
username: dulak
calculator: abinit
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 804 characters]

key_value_pairs:
  {"x": 1.01, "kptdensity": 16.0, "name": "Cl", "potentials": "gpaw", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 32039.758950948715, "potentials_version": 0.90000000000000002, "project": "dcdft", "width": 0.01, "ecut": 100, "fband": 1.5, "calculator_version": "7.10.2", "ecutsm": 0.0, "tolsym": 9.9999999999999994e-12}


unique_id: 468b0cfcab5449716ec1b5ef82637f80
username: dulak
calculator: abinit
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 804 characters]

key_value_pairs:
  {"x": 1.01, "kptdensity": 16.0, "name": "Tl", "potentials": "gpaw", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 7218.7969539165497, "potentials_version": 0.90000000000000002, "project": "dcdft", "width": 0.01, "ecut": 100, "fband": 1.5, "calculator_version": "7.10.2", "ecutsm": 0.0, "tolsym": 9.9999999999999994e-12}


unique_id: 827acebe6c459e700e2075976b3c551c
username: dulak
calculator: abinit
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 804 characters]

key_value_pairs:
  {"x": 1.0, "kptdensity": 16.0, "name": "Sn", "potentials": "gpaw", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 21238.983479976654, "potentials_version": 0.90000000000000002, "project": "dcdft", "width": 0.01, "ecut": 100, "fband": 1.5, "calculator_version": "7.10.2", "ecutsm": 0.0, "tolsym": 9.9999999999999994e-12}


unique_id: 1ef6891c51a0df804e82b9097757046e
username: dulak
calculator: abinit
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 804 characters]

key_value_pairs:
  {"x": 1.02, "kptdensity": 16.0, "name": "Os", "potentials": "gpaw", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 9728.9665110111237, "potentials_version": 0.90000000000000002, "project": "dcdft", "width": 0.01, "ecut": 100, "fband": 1.5, "calculator_version": "7.10.2", "ecutsm": 0.0, "tolsym": 9.9999999999999994e-12}


unique_id: f6aea8cc4f7a8d3e7fca26d0df2f83aa
username: dulak
calculator: abinit
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 804 characters]

key_value_pairs:
  {"x": 1.02, "kptdensity": 16.0, "name": "Re", "potentials": "gpaw", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 10948.568031072617, "potentials_version": 0.90000000000000002, "project": "dcdft", "width": 0.01, "ecut": 100, "fband": 1.5, "calculator_version": "7.10.2", "ecutsm": 0.0, "tolsym": 9.9999999999999994e-12}


unique_id: 56c01b45148c507381b957423bb02603
username: dulak
calculator: abinit
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 804 characters]

key_value_pairs:
  {"x": 1.02, "kptdensity": 16.0, "name": "Tl", "potentials": "gpaw", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 7212.4151740074158, "potentials_version": 0.90000000000000002, "project": "dcdft", "width": 0.01, "ecut": 100, "fband": 1.5, "calculator_version": "7.10.2", "ecutsm": 0.0, "tolsym": 9.9999999999999994e-12}


unique_id: 9ccd48a338bdcfc2d96a34e8f25cedf9
username: dulak
calculator: abinit
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 804 characters]

key_value_pairs:
  {"x": 1.01, "kptdensity": 16.0, "name": "Li", "potentials": "gpaw", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 13538.001952171326, "potentials_version": 0.90000000000000002, "project": "dcdft", "width": 0.01, "ecut": 100, "fband": 1.5, "calculator_version": "7.10.2", "ecutsm": 0.0, "tolsym": 9.9999999999999994e-12}


unique_id: f5d75ae4665ac545a905db270af88538
username: dulak
calculator: abinit
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 804 characters]

key_value_pairs:
  {"x": 1.01, "kptdensity": 16.0, "name": "I", "potentials": "gpaw", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 18767.966148138046, "potentials_version": 0.90000000000000002, "project": "dcdft", "width": 0.01, "ecut": 100, "fband": 1.5, "calculator_version": "7.10.2", "ecutsm": 0.0, "tolsym": 9.9999999999999994e-12}


unique_id: 3d93ff0be50644170a01a1266ed66942
username: dulak
calculator: abinit
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 804 characters]

key_value_pairs:
  {"x": 1.01, "kptdensity": 16.0, "name": "Sn", "potentials": "gpaw", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 22141.019151926041, "potentials_version": 0.90000000000000002, "project": "dcdft", "width": 0.01, "ecut": 100, "fband": 1.5, "calculator_version": "7.10.2", "ecutsm": 0.0, "tolsym": 9.9999999999999994e-12}


unique_id: 6275a36ddbfabbf6af1e0d7881066873
username: dulak
calculator: abinit
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 804 characters]

key_value_pairs:
  {"x": 1.02, "kptdensity": 16.0, "name": "Li", "potentials": "gpaw", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 13857.023694992065, "potentials_version": 0.90000000000000002, "project": "dcdft", "width": 0.01, "ecut": 100, "fband": 1.5, "calculator_version": "7.10.2", "ecutsm": 0.0, "tolsym": 9.9999999999999994e-12}


unique_id: a2168f0d240107cebd75a75d880786bd
username: dulak
calculator: abinit
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 804 characters]

key_value_pairs:
  {"x": 1.01, "kptdensity": 16.0, "name": "As", "potentials": "gpaw", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 38095.76272892952, "potentials_version": 0.90000000000000002, "project": "dcdft", "width": 0.01, "ecut": 100, "fband": 1.5, "calculator_version": "7.10.2", "ecutsm": 0.0, "tolsym": 9.9999999999999994e-12}


unique_id: e15af6a2eb3ad8979751c2aa407f252f
username: dulak
calculator: abinit
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 804 characters]

key_value_pairs:
  {"x": 1.02, "kptdensity": 16.0, "name": "I", "potentials": "gpaw", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 21180.256154060364, "potentials_version": 0.90000000000000002, "project": "dcdft", "width": 0.01, "ecut": 100, "fband": 1.5, "calculator_version": "7.10.2", "ecutsm": 0.0, "tolsym": 9.9999999999999994e-12}


unique_id: 381db9b7dbc00579aa9194ec1c92f91e
username: dulak
calculator: abinit
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 804 characters]

key_value_pairs:
  {"x": 1.02, "kptdensity": 16.0, "name": "Cl", "potentials": "gpaw", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 33609.247930049896, "potentials_version": 0.90000000000000002, "project": "dcdft", "width": 0.01, "ecut": 100, "fband": 1.5, "calculator_version": "7.10.2", "ecutsm": 0.0, "tolsym": 9.9999999999999994e-12}


unique_id: 5b2ffae89132415254e233c98c7c226b
username: dulak
calculator: abinit
data: null
calculator_parameters:
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key_value_pairs:
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unique_id: e5c79b46b5b3f83e91b77f647458689e
username: dulak
calculator: abinit
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 804 characters]

key_value_pairs:
  {"x": 1.02, "kptdensity": 16.0, "name": "Sn", "potentials": "gpaw", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 22918.063638925552, "potentials_version": 0.90000000000000002, "project": "dcdft", "width": 0.01, "ecut": 100, "fband": 1.5, "calculator_version": "7.10.2", "ecutsm": 0.0, "tolsym": 9.9999999999999994e-12}


unique_id: 6f47816a5a6363699be2344f141f4545
username: dulak
calculator: abinit
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 804 characters]

key_value_pairs:
  {"x": 1.02, "kptdensity": 16.0, "name": "As", "potentials": "gpaw", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 39613.808082818985, "potentials_version": 0.90000000000000002, "project": "dcdft", "width": 0.01, "ecut": 100, "fband": 1.5, "calculator_version": "7.10.2", "ecutsm": 0.0, "tolsym": 9.9999999999999994e-12}


unique_id: 635ba5cfd62d436fb7035f839e4cb665
username: dulak
calculator: abinit
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 804 characters]

key_value_pairs:
  {"x": 1.01, "kptdensity": 16.0, "name": "F", "potentials": "gpaw", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 57652.436425924301, "potentials_version": 0.90000000000000002, "project": "dcdft", "width": 0.01, "ecut": 100, "fband": 1.5, "calculator_version": "7.10.2", "ecutsm": 0.0, "tolsym": 9.9999999999999994e-12}


unique_id: a9ed0624f4006a5eac14f358c8e75bd2
username: dulak
calculator: abinit
data: null
calculator_parameters:
  "\"\\\"\\\\\\\"{\\\\\\\\\\\\\\\"prtwf\\\\\\\\\\\\\\\": 0, \\\\\\\\\\\\\\\"kpts\\\\\\\\\\\\\\\": [26, 26, 8], \\\\\\\\\\\\\\\"ecut\\\\\\\\\\\\\\\": 1360.5697827758654, \\\\\\\\\\\\\\\"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:
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unique_id: 7d3868d986618bebaffb935a2328a411
username: dulak
calculator: abinit
data: null
calculator_parameters:
  "\"\\\"\\\\\\\"{\\\\\\\\\\\\\\\"prtwf\\\\\\\\\\\\\\\": 0, \\\\\\\\\\\\\\\"kpts\\\\\\\\\\\\\\\": [26, 26, 8], \\\\\\\\\\\\\\\"ecut\\\\\\\\\\\\\\\": 1360.5697827758654, \\\\\\\\\\\\\\\"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": "Bi", "potentials": "gpaw", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 33664.241118907928, "potentials_version": 0.90000000000000002, "project": "dcdft", "width": 0.01, "ecut": 100, "fband": 1.5, "calculator_version": "7.10.2", "ecutsm": 0.0, "tolsym": 9.9999999999999994e-12}


unique_id: 9ade71bc0b7ed754f49e95bccce6aa85
username: dulak
calculator: abinit
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 804 characters]

key_value_pairs:
  {"x": 1.02, "kptdensity": 16.0, "name": "F", "potentials": "gpaw", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 60104.55255484581, "potentials_version": 0.90000000000000002, "project": "dcdft", "width": 0.01, "ecut": 100, "fband": 1.5, "calculator_version": "7.10.2", "ecutsm": 0.0, "tolsym": 9.9999999999999994e-12}


unique_id: 65656cde2ece79b29b35c56a0284e43e
username: dulak
calculator: abinit
data: null
calculator_parameters:
  "\"\\\"\\\\\\\"{\\\\\\\\\\\\\\\"prtwf\\\\\\\\\\\\\\\": 0, \\\\\\\\\\\\\\\"kpts\\\\\\\\\\\\\\\": [26, 26, 8], \\\\\\\\\\\\\\\"ecut\\\\\\\\\\\\\\\": 1360.5697827758654, \\\\\\\\\\\\\\\"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": "Sb", "potentials": "gpaw", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 31044.161153078079, "potentials_version": 0.90000000000000002, "project": "dcdft", "width": 0.01, "ecut": 100, "fband": 1.5, "calculator_version": "7.10.2", "ecutsm": 0.0, "tolsym": 9.9999999999999994e-12}


unique_id: 66fc0ddfc8be3a3f89a2e3b70fe9cbe8
username: dulak
calculator: abinit
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 803 characters]

key_value_pairs:
  {"x": 0.98999999999999999, "kptdensity": 16.0, "name": "Bi", "potentials": "gpaw", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 31012.058005094528, "potentials_version": 0.90000000000000002, "project": "dcdft", "width": 0.01, "ecut": 100, "fband": 1.5, "calculator_version": "7.10.2", "ecutsm": 0.0, "tolsym": 9.9999999999999994e-12}


unique_id: d6fb33b5b28a5e478003cde575719229
username: dulak
calculator: abinit
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 803 characters]

key_value_pairs:
  {"x": 1.0, "kptdensity": 16.0, "name": "Sb", "potentials": "gpaw", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 29999.892693042755, "potentials_version": 0.90000000000000002, "project": "dcdft", "width": 0.01, "ecut": 100, "fband": 1.5, "calculator_version": "7.10.2", "ecutsm": 0.0, "tolsym": 9.9999999999999994e-12}


unique_id: c8bd342a5cac0790a75f6ae789365476
username: dulak
calculator: abinit
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 803 characters]

key_value_pairs:
  {"x": 1.0, "kptdensity": 16.0, "name": "Bi", "potentials": "gpaw", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 32073.180506944656, "potentials_version": 0.90000000000000002, "project": "dcdft", "width": 0.01, "ecut": 100, "fband": 1.5, "calculator_version": "7.10.2", "ecutsm": 0.0, "tolsym": 9.9999999999999994e-12}


unique_id: ba4aeecf3dd81109e2fc16f3177724f0
username: dulak
calculator: abinit
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 803 characters]

key_value_pairs:
  {"x": 1.01, "kptdensity": 16.0, "name": "Sb", "potentials": "gpaw", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 30781.956703901291, "potentials_version": 0.90000000000000002, "project": "dcdft", "width": 0.01, "ecut": 100, "fband": 1.5, "calculator_version": "7.10.2", "ecutsm": 0.0, "tolsym": 9.9999999999999994e-12}


unique_id: b529d53da5368c947cd5942aa6d91938
username: dulak
calculator: abinit
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 803 characters]

key_value_pairs:
  {"x": 1.01, "kptdensity": 16.0, "name": "Bi", "potentials": "gpaw", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 35595.139531135559, "potentials_version": 0.90000000000000002, "project": "dcdft", "width": 0.01, "ecut": 100, "fband": 1.5, "calculator_version": "7.10.2", "ecutsm": 0.0, "tolsym": 9.9999999999999994e-12}


unique_id: b3f2fbd8abdc753d256d7c14d7ff7cb8
username: dulak
calculator: abinit
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 803 characters]

key_value_pairs:
  {"x": 1.02, "kptdensity": 16.0, "name": "Sb", "potentials": "gpaw", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 31319.561282873154, "potentials_version": 0.90000000000000002, "project": "dcdft", "width": 0.01, "ecut": 100, "fband": 1.5, "calculator_version": "7.10.2", "ecutsm": 0.0, "tolsym": 9.9999999999999994e-12}


unique_id: c25d6db547812908b1aa50bf32c64bab
username: dulak
calculator: abinit
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 803 characters]

key_value_pairs:
  {"x": 1.02, "kptdensity": 16.0, "name": "Bi", "potentials": "gpaw", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 34197.362838029861, "potentials_version": 0.90000000000000002, "project": "dcdft", "width": 0.01, "ecut": 100, "fband": 1.5, "calculator_version": "7.10.2", "ecutsm": 0.0, "tolsym": 9.9999999999999994e-12}


unique_id: 4215346f23d5226bb59386098cc4c6df
username: dulak
calculator: abinit
data: null
calculator_parameters:
  "\"\\\"\\\\\\\"{\\\\\\\\\\\\\\\"prtwf\\\\\\\\\\\\\\\": 0, \\\\\\\\\\\\\\\"kpts\\\\\\\\\\\\\\\": [26, 26, 24], \\\\\\\\\\\\\\\"ecut\\\\\\\\\\\\\\\": 1360.5697827758654, \\\\\\\\\\\\\\\"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": "B", "potentials": "gpaw", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 11404.554114103317, "potentials_version": 0.90000000000000002, "project": "dcdft", "width": 0.01, "ecut": 100, "fband": 1.5, "calculator_version": "7.10.2", "ecutsm": 0.0, "tolsym": 9.9999999999999994e-12}


unique_id: e32f54f9dbbcd3620097cf9b5651df92
username: dulak
calculator: abinit
data: null
calculator_parameters:
  "\"\\\"\\\\\\\"{\\\\\\\\\\\\\\\"prtwf\\\\\\\\\\\\\\\": 0, \\\\\\\\\\\\\\\"kpts\\\\\\\\\\\\\\\": [26, 26, 24], \\\\\\\\\\\\\\\"ecut\\\\\\\\\\\\\\\": 1360.5697827758654, \\\\\\\\\\\\\\\"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": "B", "potentials": "gpaw", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 12098.074338197708, "potentials_version": 0.90000000000000002, "project": "dcdft", "width": 0.01, "ecut": 100, "fband": 1.5, "calculator_version": "7.10.2", "ecutsm": 0.0, "tolsym": 9.9999999999999994e-12}


unique_id: b241416cd10befd516de00a63e5014fc
username: dulak
calculator: abinit
data: null
calculator_parameters:
  "\"\\\"\\\\\\\"{\\\\\\\\\\\\\\\"prtwf\\\\\\\\\\\\\\\": 0, \\\\\\\\\\\\\\\"kpts\\\\\\\\\\\\\\\": [26, 26, 24], \\\\\\\\\\\\\\\"ecut\\\\\\\\\\\\\\\": 1360.5697827758654, \\\\\\\\\\\\\\\"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": "B", "potentials": "gpaw", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 12588.079937934875, "potentials_version": 0.90000000000000002, "project": "dcdft", "width": 0.01, "ecut": 100, "fband": 1.5, "calculator_version": "7.10.2", "ecutsm": 0.0, "tolsym": 9.9999999999999994e-12}


unique_id: 1eae372c49978770887f68eecab3bbe7
username: dulak
calculator: abinit
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 804 characters]

key_value_pairs:
  {"x": 1.01, "kptdensity": 16.0, "name": "B", "potentials": "gpaw", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 13047.181802988052, "potentials_version": 0.90000000000000002, "project": "dcdft", "width": 0.01, "ecut": 100, "fband": 1.5, "calculator_version": "7.10.2", "ecutsm": 0.0, "tolsym": 9.9999999999999994e-12}


unique_id: 3c60b55cfbcb17dfa35b5c3eb443d700
username: dulak
calculator: abinit
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 804 characters]

key_value_pairs:
  {"x": 1.02, "kptdensity": 16.0, "name": "B", "potentials": "gpaw", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 13388.350313186646, "potentials_version": 0.90000000000000002, "project": "dcdft", "width": 0.01, "ecut": 100, "fband": 1.5, "calculator_version": "7.10.2", "ecutsm": 0.0, "tolsym": 9.9999999999999994e-12}


unique_id: 6a45fd6fb2bbd8b66bb1bb4c37e29b67
username: dulak
calculator: abinit
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 804 characters]

key_value_pairs:
  {"x": 0.97999999999999998, "kptdensity": 16.0, "name": "Na", "potentials": "gpaw", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 44857.518373966217, "potentials_version": 0.90000000000000002, "project": "dcdft", "width": 0.01, "ecut": 100, "fband": 1.5, "calculator_version": "7.10.2", "ecutsm": 0.0, "tolsym": 9.9999999999999994e-12}


unique_id: 3b9cbaea5c9eeded7be9149d35c7272d
username: dulak
calculator: abinit
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 804 characters]

key_value_pairs:
  {"x": 0.98999999999999999, "kptdensity": 16.0, "name": "Na", "potentials": "gpaw", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 44715.16783618927, "potentials_version": 0.90000000000000002, "project": "dcdft", "width": 0.01, "ecut": 100, "fband": 1.5, "calculator_version": "7.10.2", "ecutsm": 0.0, "tolsym": 9.9999999999999994e-12}


unique_id: 72b276607423328624de82a3625066d4
username: dulak
calculator: abinit
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 804 characters]

key_value_pairs:
  {"x": 1.0, "kptdensity": 16.0, "name": "Na", "potentials": "gpaw", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 46338.798027038574, "potentials_version": 0.90000000000000002, "project": "dcdft", "width": 0.01, "ecut": 100, "fband": 1.5, "calculator_version": "7.10.2", "ecutsm": 0.0, "tolsym": 9.9999999999999994e-12}


unique_id: 4f2549ad12cb499164a23571ee975dc1
username: dulak
calculator: abinit
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 804 characters]

key_value_pairs:
  {"x": 1.01, "kptdensity": 16.0, "name": "Na", "potentials": "gpaw", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 45788.58106303215, "potentials_version": 0.90000000000000002, "project": "dcdft", "width": 0.01, "ecut": 100, "fband": 1.5, "calculator_version": "7.10.2", "ecutsm": 0.0, "tolsym": 9.9999999999999994e-12}


unique_id: 5facd438421341136cd20c8221b75027
username: dulak
calculator: abinit
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 804 characters]

key_value_pairs:
  {"x": 1.02, "kptdensity": 16.0, "name": "Na", "potentials": "gpaw", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 58491.165899991989, "potentials_version": 0.90000000000000002, "project": "dcdft", "width": 0.01, "ecut": 100, "fband": 1.5, "calculator_version": "7.10.2", "ecutsm": 0.0, "tolsym": 9.9999999999999994e-12}


unique_id: 7a93bc1616cd84eebfa1fc7b09a3e4f8
username: dulak
calculator: abinit
data: null
calculator_parameters:
  "\"\\\"\\\\\\\"{\\\\\\\\\\\\\\\"prtwf\\\\\\\\\\\\\\\": 0, \\\\\\\\\\\\\\\"kpts\\\\\\\\\\\\\\\": [46, 46, 24], \\\\\\\\\\\\\\\"ecut\\\\\\\\\\\\\\\": 1360.5697827758654, \\\\\\\\\\\\\\\"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": "Co", "potentials": "gpaw", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 5240.5257730484009, "potentials_version": 0.90000000000000002, "project": "dcdft", "width": 0.01, "ecut": 100, "fband": 1.5, "calculator_version": "7.10.2", "ecutsm": 0.0, "tolsym": 9.9999999999999994e-12}


unique_id: 5edb0d8e40469e8d914d0f787a67747f
username: dulak
calculator: abinit
data: null
calculator_parameters:
  "\"\\\"\\\\\\\"{\\\\\\\\\\\\\\\"prtwf\\\\\\\\\\\\\\\": 0, \\\\\\\\\\\\\\\"kpts\\\\\\\\\\\\\\\": [46, 46, 24], \\\\\\\\\\\\\\\"ecut\\\\\\\\\\\\\\\": 1360.5697827758654, \\\\\\\\\\\\\\\"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": "Co", "potentials": "gpaw", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 5742.2952861785889, "potentials_version": 0.90000000000000002, "project": "dcdft", "width": 0.01, "ecut": 100, "fband": 1.5, "calculator_version": "7.10.2", "ecutsm": 0.0, "tolsym": 9.9999999999999994e-12}


unique_id: 521a946dd3f4ac88e0dbae4c3aa05b62
username: dulak
calculator: abinit
data: null
calculator_parameters:
  "\"\\\"\\\\\\\"{\\\\\\\\\\\\\\\"prtwf\\\\\\\\\\\\\\\": 0, \\\\\\\\\\\\\\\"kpts\\\\\\\\\\\\\\\": [46, 46, 24], \\\\\\\\\\\\\\\"ecut\\\\\\\\\\\\\\\": 1360.5697827758654, \\\\\\\\\\\\\\\"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": "Co", "potentials": "gpaw", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 5253.7913661003113, "potentials_version": 0.90000000000000002, "project": "dcdft", "width": 0.01, "ecut": 100, "fband": 1.5, "calculator_version": "7.10.2", "ecutsm": 0.0, "tolsym": 9.9999999999999994e-12}


unique_id: 12dd230fce12471d465bdfbee6aa08fa
username: dulak
calculator: abinit
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 804 characters]

key_value_pairs:
  {"x": 1.01, "kptdensity": 16.0, "name": "Co", "potentials": "gpaw", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 5778.1702978610992, "potentials_version": 0.90000000000000002, "project": "dcdft", "width": 0.01, "ecut": 100, "fband": 1.5, "calculator_version": "7.10.2", "ecutsm": 0.0, "tolsym": 9.9999999999999994e-12}


unique_id: aaeeffed58a7317a0bb53c3fcfa087c1
username: dulak
calculator: abinit
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 804 characters]

key_value_pairs:
  {"x": 0.97999999999999998, "kptdensity": 16.0, "name": "Mn", "potentials": "gpaw", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 21832.386158943176, "potentials_version": 0.90000000000000002, "project": "dcdft", "width": 0.01, "ecut": 100, "fband": 1.5, "calculator_version": "7.10.2", "ecutsm": 0.0, "tolsym": 9.9999999999999994e-12}


unique_id: f2af241b3ddbec3a570f055b98006fad
username: dulak
calculator: abinit
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 804 characters]

key_value_pairs:
  {"x": 1.02, "kptdensity": 16.0, "name": "Co", "potentials": "gpaw", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 5783.893483877182, "potentials_version": 0.90000000000000002, "project": "dcdft", "width": 0.01, "ecut": 100, "fband": 1.5, "calculator_version": "7.10.2", "ecutsm": 0.0, "tolsym": 9.9999999999999994e-12}


unique_id: 6dacfdd89bda8bb57cd471d480e02e75
username: dulak
calculator: abinit
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 804 characters]

key_value_pairs:
  {"x": 0.97999999999999998, "kptdensity": 16.0, "name": "Ni", "potentials": "gpaw", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 2932.3144719600677, "potentials_version": 0.90000000000000002, "project": "dcdft", "width": 0.01, "ecut": 100, "fband": 1.5, "calculator_version": "7.10.2", "ecutsm": 0.0, "tolsym": 9.9999999999999994e-12}


unique_id: 3efc34834db09ba5b25adf6fc74147dd
username: dulak
calculator: abinit
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 804 characters]

key_value_pairs:
  {"x": 0.98999999999999999, "kptdensity": 16.0, "name": "Ni", "potentials": "gpaw", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 2516.461287021637, "potentials_version": 0.90000000000000002, "project": "dcdft", "width": 0.01, "ecut": 100, "fband": 1.5, "calculator_version": "7.10.2", "ecutsm": 0.0, "tolsym": 9.9999999999999994e-12}


unique_id: babf9166aa75defd0b65284dad5ab613
username: dulak
calculator: abinit
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 804 characters]

key_value_pairs:
  {"x": 1.0, "kptdensity": 16.0, "name": "Ni", "potentials": "gpaw", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 2535.9406628608704, "potentials_version": 0.90000000000000002, "project": "dcdft", "width": 0.01, "ecut": 100, "fband": 1.5, "calculator_version": "7.10.2", "ecutsm": 0.0, "tolsym": 9.9999999999999994e-12}


unique_id: b18a739d51ac9a6a4fa5ed2e69121ea5
username: dulak
calculator: abinit
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 804 characters]

key_value_pairs:
  {"x": 1.01, "kptdensity": 16.0, "name": "Ni", "potentials": "gpaw", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 2730.7751269340515, "potentials_version": 0.90000000000000002, "project": "dcdft", "width": 0.01, "ecut": 100, "fband": 1.5, "calculator_version": "7.10.2", "ecutsm": 0.0, "tolsym": 9.9999999999999994e-12}


unique_id: 2e5583fbeb06d64a350a485b49c166a1
username: dulak
calculator: abinit
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 804 characters]

key_value_pairs:
  {"x": 1.02, "kptdensity": 16.0, "name": "Ni", "potentials": "gpaw", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 2882.9470069408417, "potentials_version": 0.90000000000000002, "project": "dcdft", "width": 0.01, "ecut": 100, "fband": 1.5, "calculator_version": "7.10.2", "ecutsm": 0.0, "tolsym": 9.9999999999999994e-12}


unique_id: a7e0083934d0475047e3f0bbaf5c3856
username: dulak
calculator: abinit
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 804 characters]

key_value_pairs:
  {"x": 0.98999999999999999, "kptdensity": 16.0, "name": "Mn", "potentials": "gpaw", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 27023.551842927933, "potentials_version": 0.90000000000000002, "project": "dcdft", "width": 0.01, "ecut": 100, "fband": 1.5, "calculator_version": "7.10.2", "ecutsm": 0.0, "tolsym": 9.9999999999999994e-12}


unique_id: 624593e6f6c2fe0fefecbec5887bd95e
username: dulak
calculator: abinit
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 804 characters]

key_value_pairs:
  {"x": 1.0, "kptdensity": 16.0, "name": "Mn", "potentials": "gpaw", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 26702.627863883972, "potentials_version": 0.90000000000000002, "project": "dcdft", "width": 0.01, "ecut": 100, "fband": 1.5, "calculator_version": "7.10.2", "ecutsm": 0.0, "tolsym": 9.9999999999999994e-12}


unique_id: 1539fa0b34cc80a8825d627a673a5769
username: dulak
calculator: abinit
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 804 characters]

key_value_pairs:
  {"x": 1.01, "kptdensity": 16.0, "name": "Mn", "potentials": "gpaw", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 25650.085626125336, "potentials_version": 0.90000000000000002, "project": "dcdft", "width": 0.01, "ecut": 100, "fband": 1.5, "calculator_version": "7.10.2", "ecutsm": 0.0, "tolsym": 9.9999999999999994e-12}


unique_id: 98e6488eacf8c7f2d4b3fd233f38e6ff
username: dulak
calculator: abinit
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 804 characters]

key_value_pairs:
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unique_id: 3be8e20024d8ad8f22f27cdca9d8db64
username: dulak
calculator: abinit
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key_value_pairs:
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unique_id: 6b797b1762948cd8ec1342ad0bedba76
username: dulak
calculator: abinit
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key_value_pairs:
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unique_id: 741a19a6ba1a442259ba7e60e8ef8bb1
username: dulak
calculator: abinit
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calculator_parameters:
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key_value_pairs:
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unique_id: a45d777cf3dcbdae522d2ae5a51c0f9c
username: dulak
calculator: abinit
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 804 characters]

key_value_pairs:
  {"x": 1.01, "kptdensity": 16.0, "name": "O", "potentials": "gpaw", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 4709.4612579345703, "potentials_version": 0.90000000000000002, "project": "dcdft", "width": 0.01, "ecut": 100, "fband": 1.5, "calculator_version": "7.10.2", "ecutsm": 0.0, "tolsym": 9.9999999999999994e-12}


unique_id: b71179880ba965ef020956d0f78b80e8
username: dulak
calculator: abinit
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 804 characters]

key_value_pairs:
  {"x": 1.02, "kptdensity": 16.0, "name": "O", "potentials": "gpaw", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 5451.1214668750763, "potentials_version": 0.90000000000000002, "project": "dcdft", "width": 0.01, "ecut": 100, "fband": 1.5, "calculator_version": "7.10.2", "ecutsm": 0.0, "tolsym": 9.9999999999999994e-12}


unique_id: d7d02e512e3ace75b54015ae3ebe6d8f
username: dulak
calculator: espresso
data: null
calculator_parameters:
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key_value_pairs:
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unique_id: 883f4182b4fe2e1d62400c8d510e206c
username: dulak
calculator: espresso
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calculator_parameters:
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key_value_pairs:
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unique_id: d6a72a3dc406186f872c86dd7fb16ab2
username: dulak
calculator: espresso
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calculator_parameters:
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key_value_pairs:
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unique_id: e25f52a00267a6da765195b64a16ad09
username: dulak
calculator: espresso
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 256 characters]

key_value_pairs:
  {"kptdensity": 14.0, "name": "H", "linspacestr": "0.98x1.02x5", "calculator_version": 5.0999999999999996, "potentials_version": 0.59999999999999998, "project": "dcdft", "width": 0.01, "time": 1521.9743509292603, "dw": 800, "potentials": "sssp_accuracy", "x": 1.01, "pw": 100}


unique_id: b34b4f02f4e7fe24f580ffee67f318b1
username: dulak
calculator: espresso
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 256 characters]

key_value_pairs:
  {"kptdensity": 14.0, "name": "H", "linspacestr": "0.98x1.02x5", "calculator_version": 5.0999999999999996, "potentials_version": 0.59999999999999998, "project": "dcdft", "width": 0.01, "time": 1542.8554701805115, "dw": 800, "potentials": "sssp_accuracy", "x": 1.02, "pw": 100}


unique_id: b3582f394798ee09834b4629b84d4ff2
username: dulak
calculator: espresso
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 256 characters]

key_value_pairs:
  {"kptdensity": 14.0, "name": "He", "linspacestr": "0.98x1.02x5", "calculator_version": 5.0999999999999996, "potentials_version": 0.59999999999999998, "project": "dcdft", "width": 0.01, "time": 378.97470378875732, "dw": 800, "potentials": "sssp_accuracy", "x": 0.97999999999999998, "pw": 100}


unique_id: 71710dda1c42320cc33ddbced8ddad9e
username: dulak
calculator: espresso
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 256 characters]

key_value_pairs:
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unique_id: 169b6a218692277086a38da79b39972c
username: dulak
calculator: espresso
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 256 characters]

key_value_pairs:
  {"kptdensity": 14.0, "name": "He", "linspacestr": "0.98x1.02x5", "calculator_version": 5.0999999999999996, "potentials_version": 0.59999999999999998, "project": "dcdft", "width": 0.01, "time": 405.13478684425354, "dw": 800, "potentials": "sssp_accuracy", "x": 1.0, "pw": 100}


unique_id: 814e26a325a12ebfee442a7423802619
username: dulak
calculator: espresso
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 256 characters]

key_value_pairs:
  {"kptdensity": 14.0, "name": "He", "linspacestr": "0.98x1.02x5", "calculator_version": 5.0999999999999996, "potentials_version": 0.59999999999999998, "project": "dcdft", "width": 0.01, "time": 596.35237002372742, "dw": 800, "potentials": "sssp_accuracy", "x": 1.01, "pw": 100}


unique_id: 8923abce5b6b38a66693440324f2da48
username: dulak
calculator: espresso
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 256 characters]

key_value_pairs:
  {"kptdensity": 14.0, "name": "He", "linspacestr": "0.98x1.02x5", "calculator_version": 5.0999999999999996, "potentials_version": 0.59999999999999998, "project": "dcdft", "width": 0.01, "time": 571.84730005264282, "dw": 800, "potentials": "sssp_accuracy", "x": 1.02, "pw": 100}


unique_id: fa345de10f4bd6ab2ec2c63a953b5ed7
username: dulak
calculator: espresso
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 256 characters]

key_value_pairs:
  {"kptdensity": 14.0, "name": "Be", "linspacestr": "0.98x1.02x5", "calculator_version": 5.0999999999999996, "potentials_version": 0.59999999999999998, "project": "dcdft", "width": 0.01, "time": 4218.4905788898468, "dw": 800, "potentials": "sssp_accuracy", "x": 0.97999999999999998, "pw": 100}


unique_id: 196d184e993dbf8507eb3d044e9fb724
username: dulak
calculator: espresso
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 256 characters]

key_value_pairs:
  {"kptdensity": 14.0, "name": "Be", "linspacestr": "0.98x1.02x5", "calculator_version": 5.0999999999999996, "potentials_version": 0.59999999999999998, "project": "dcdft", "width": 0.01, "time": 4228.322890996933, "dw": 800, "potentials": "sssp_accuracy", "x": 0.98999999999999999, "pw": 100}


unique_id: 28c4a4ccbc484501183595e46d757dfb
username: dulak
calculator: espresso
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 256 characters]

key_value_pairs:
  {"kptdensity": 14.0, "name": "Li", "linspacestr": "0.98x1.02x5", "calculator_version": 5.0999999999999996, "potentials_version": 0.59999999999999998, "project": "dcdft", "width": 0.01, "time": 22777.411371946335, "dw": 800, "potentials": "sssp_accuracy", "x": 0.97999999999999998, "pw": 100}


unique_id: 8580a43f38fd11fe39e1d1e25bef47f5
username: dulak
calculator: espresso
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 256 characters]

key_value_pairs:
  {"kptdensity": 14.0, "name": "Be", "linspacestr": "0.98x1.02x5", "calculator_version": 5.0999999999999996, "potentials_version": 0.59999999999999998, "project": "dcdft", "width": 0.01, "time": 4209.9343588352203, "dw": 800, "potentials": "sssp_accuracy", "x": 1.0, "pw": 100}


unique_id: 36783500a92ede875889cab058f61322
username: dulak
calculator: espresso
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 256 characters]

key_value_pairs:
  {"kptdensity": 14.0, "name": "Be", "linspacestr": "0.98x1.02x5", "calculator_version": 5.0999999999999996, "potentials_version": 0.59999999999999998, "project": "dcdft", "width": 0.01, "time": 4244.9172110557556, "dw": 800, "potentials": "sssp_accuracy", "x": 1.01, "pw": 100}


unique_id: a9b71645c8dfda2650c7b5f934edba9b
username: dulak
calculator: espresso
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 256 characters]

key_value_pairs:
  {"kptdensity": 14.0, "name": "Be", "linspacestr": "0.98x1.02x5", "calculator_version": 5.0999999999999996, "potentials_version": 0.59999999999999998, "project": "dcdft", "width": 0.01, "time": 4258.9045131206512, "dw": 800, "potentials": "sssp_accuracy", "x": 1.02, "pw": 100}


unique_id: 7424536e7eae4e283c1235fab29c5920
username: dulak
calculator: espresso
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 256 characters]

key_value_pairs:
  {"kptdensity": 14.0, "name": "Li", "linspacestr": "0.98x1.02x5", "calculator_version": 5.0999999999999996, "potentials_version": 0.59999999999999998, "project": "dcdft", "width": 0.01, "time": 24453.924795150757, "dw": 800, "potentials": "sssp_accuracy", "x": 0.98999999999999999, "pw": 100}


unique_id: c37c196bb8b816d4ca42fd338fc6d1c7
username: dulak
calculator: espresso
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 256 characters]

key_value_pairs:
  {"kptdensity": 14.0, "name": "C", "linspacestr": "0.98x1.02x5", "calculator_version": 5.0999999999999996, "potentials_version": 0.59999999999999998, "project": "dcdft", "width": 0.01, "time": 14973.422693014145, "dw": 800, "potentials": "sssp_accuracy", "x": 0.97999999999999998, "pw": 100}


unique_id: 62b46d4a84488a953af4724da351589c
username: dulak
calculator: espresso
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 256 characters]

key_value_pairs:
  {"kptdensity": 14.0, "name": "C", "linspacestr": "0.98x1.02x5", "calculator_version": 5.0999999999999996, "potentials_version": 0.59999999999999998, "project": "dcdft", "width": 0.01, "time": 18011.35506105423, "dw": 800, "potentials": "sssp_accuracy", "x": 0.98999999999999999, "pw": 100}


unique_id: e6a9e633bda103664a4877b5765cecda
username: dulak
calculator: espresso
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 256 characters]

key_value_pairs:
  {"kptdensity": 14.0, "name": "Li", "linspacestr": "0.98x1.02x5", "calculator_version": 5.0999999999999996, "potentials_version": 0.59999999999999998, "project": "dcdft", "width": 0.01, "time": 24119.974980831146, "dw": 800, "potentials": "sssp_accuracy", "x": 1.0, "pw": 100}


unique_id: aa5ddba6c1f35c248a6a2d99284ab7b5
username: dulak
calculator: espresso
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 256 characters]

key_value_pairs:
  {"kptdensity": 14.0, "name": "O", "linspacestr": "0.98x1.02x5", "calculator_version": 5.0999999999999996, "potentials_version": 0.59999999999999998, "project": "dcdft", "width": 0.01, "time": 6744.4774820804596, "dw": 800, "potentials": "sssp_accuracy", "x": 0.97999999999999998, "pw": 100}


unique_id: 84059319a844406d10e7a99253fe24b8
username: dulak
calculator: espresso
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 256 characters]

key_value_pairs:
  {"kptdensity": 14.0, "name": "F", "linspacestr": "0.98x1.02x5", "calculator_version": 5.0999999999999996, "potentials_version": 0.59999999999999998, "project": "dcdft", "width": 0.01, "time": 8092.5317251682281, "dw": 800, "potentials": "sssp_accuracy", "x": 0.97999999999999998, "pw": 100}


unique_id: 6ce2cf11d8fb6f04168e65f97ca8c256
username: dulak
calculator: espresso
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 256 characters]

key_value_pairs:
  {"kptdensity": 14.0, "name": "C", "linspacestr": "0.98x1.02x5", "calculator_version": 5.0999999999999996, "potentials_version": 0.59999999999999998, "project": "dcdft", "width": 0.01, "time": 16287.49834895134, "dw": 800, "potentials": "sssp_accuracy", "x": 1.0, "pw": 100}


unique_id: 2a8e77dae616783eb3bb2e0b23a793c0
username: dulak
calculator: espresso
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 256 characters]

key_value_pairs:
  {"kptdensity": 14.0, "name": "O", "linspacestr": "0.98x1.02x5", "calculator_version": 5.0999999999999996, "potentials_version": 0.59999999999999998, "project": "dcdft", "width": 0.01, "time": 6785.3096008300781, "dw": 800, "potentials": "sssp_accuracy", "x": 0.98999999999999999, "pw": 100}


unique_id: d8a46087f193a47369ac6fb9ff596d57
username: dulak
calculator: espresso
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 256 characters]

key_value_pairs:
  {"kptdensity": 14.0, "name": "B", "linspacestr": "0.98x1.02x5", "calculator_version": 5.0999999999999996, "potentials_version": 0.59999999999999998, "project": "dcdft", "width": 0.01, "time": 53623.408601999283, "dw": 800, "potentials": "sssp_accuracy", "x": 0.97999999999999998, "pw": 100}


unique_id: bc966c7c6aa3b54b4d2454d82801ec9a
username: dulak
calculator: espresso
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 256 characters]

key_value_pairs:
  {"kptdensity": 14.0, "name": "F", "linspacestr": "0.98x1.02x5", "calculator_version": 5.0999999999999996, "potentials_version": 0.59999999999999998, "project": "dcdft", "width": 0.01, "time": 8304.7773330211639, "dw": 800, "potentials": "sssp_accuracy", "x": 0.98999999999999999, "pw": 100}


unique_id: fef286238343bd29d30658cf409143ad
username: dulak
calculator: espresso
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 256 characters]

key_value_pairs:
  {"kptdensity": 14.0, "name": "O", "linspacestr": "0.98x1.02x5", "calculator_version": 5.0999999999999996, "potentials_version": 0.59999999999999998, "project": "dcdft", "width": 0.01, "time": 6738.570858001709, "dw": 800, "potentials": "sssp_accuracy", "x": 1.0, "pw": 100}


unique_id: 1481c6a1516fc7cdd660db6805d75940
username: dulak
calculator: espresso
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 256 characters]

key_value_pairs:
  {"kptdensity": 14.0, "name": "Li", "linspacestr": "0.98x1.02x5", "calculator_version": 5.0999999999999996, "potentials_version": 0.59999999999999998, "project": "dcdft", "width": 0.01, "time": 24222.20802116394, "dw": 800, "potentials": "sssp_accuracy", "x": 1.01, "pw": 100}


unique_id: c288a2a7736addc397425c7d139503aa
username: dulak
calculator: espresso
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 256 characters]

key_value_pairs:
  {"kptdensity": 14.0, "name": "O", "linspacestr": "0.98x1.02x5", "calculator_version": 5.0999999999999996, "potentials_version": 0.59999999999999998, "project": "dcdft", "width": 0.01, "time": 6710.5181691646576, "dw": 800, "potentials": "sssp_accuracy", "x": 1.01, "pw": 100}


unique_id: 846b2a46ac47020ffb7c726555a86552
username: dulak
calculator: espresso
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 256 characters]

key_value_pairs:
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key_value_pairs:
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key_value_pairs:
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key_value_pairs:
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key_value_pairs:
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key_value_pairs:
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key_value_pairs:
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calculator: espresso
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key_value_pairs:
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key_value_pairs:
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key_value_pairs:
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key_value_pairs:
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key_value_pairs:
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key_value_pairs:
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calculator: espresso
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key_value_pairs:
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key_value_pairs:
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key_value_pairs:
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key_value_pairs:
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key_value_pairs:
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key_value_pairs:
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key_value_pairs:
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key_value_pairs:
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key_value_pairs:
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key_value_pairs:
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key_value_pairs:
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key_value_pairs:
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key_value_pairs:
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key_value_pairs:
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key_value_pairs:
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key_value_pairs:
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key_value_pairs:
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key_value_pairs:
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key_value_pairs:
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calculator: espresso
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key_value_pairs:
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key_value_pairs:
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key_value_pairs:
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key_value_pairs:
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key_value_pairs:
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calculator: espresso
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key_value_pairs:
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key_value_pairs:
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key_value_pairs:
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key_value_pairs:
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calculator: espresso
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key_value_pairs:
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calculator: espresso
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calculator: espresso
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key_value_pairs:
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key_value_pairs:
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calculator: espresso
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key_value_pairs:
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key_value_pairs:
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calculator: espresso
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key_value_pairs:
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calculator: espresso
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key_value_pairs:
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calculator: espresso
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key_value_pairs:
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key_value_pairs:
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calculator: espresso
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key_value_pairs:
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calculator: espresso
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calculator_parameters:
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key_value_pairs:
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calculator: espresso
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key_value_pairs:
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username: dulak
calculator: espresso
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calculator_parameters:
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key_value_pairs:
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key_value_pairs:
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key_value_pairs:
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key_value_pairs:
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key_value_pairs:
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key_value_pairs:
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key_value_pairs:
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key_value_pairs:
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key_value_pairs:
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key_value_pairs:
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key_value_pairs:
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key_value_pairs:
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calculator: espresso
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key_value_pairs:
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key_value_pairs:
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calculator: espresso
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key_value_pairs:
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key_value_pairs:
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key_value_pairs:
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key_value_pairs:
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calculator: espresso
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calculator_parameters:
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key_value_pairs:
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key_value_pairs:
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calculator_parameters:
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key_value_pairs:
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calculator_parameters:
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key_value_pairs:
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calculator: espresso
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key_value_pairs:
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calculator: espresso
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calculator_parameters:
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key_value_pairs:
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calculator: espresso
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calculator_parameters:
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key_value_pairs:
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calculator: espresso
data: null
calculator_parameters:
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key_value_pairs:
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calculator: espresso
data: null
calculator_parameters:
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key_value_pairs:
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calculator: espresso
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calculator_parameters:
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key_value_pairs:
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calculator: espresso
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calculator_parameters:
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key_value_pairs:
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calculator: espresso
data: null
calculator_parameters:
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key_value_pairs:
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calculator: espresso
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key_value_pairs:
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key_value_pairs:
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calculator_parameters:
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key_value_pairs:
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calculator: espresso
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calculator_parameters:
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key_value_pairs:
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calculator: espresso
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calculator_parameters:
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key_value_pairs:
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calculator: espresso
data: null
calculator_parameters:
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key_value_pairs:
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calculator: espresso
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calculator_parameters:
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key_value_pairs:
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key_value_pairs:
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key_value_pairs:
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key_value_pairs:
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key_value_pairs:
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key_value_pairs:
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key_value_pairs:
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calculator: espresso
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key_value_pairs:
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calculator: espresso
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key_value_pairs:
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key_value_pairs:
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key_value_pairs:
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key_value_pairs:
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key_value_pairs:
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key_value_pairs:
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key_value_pairs:
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key_value_pairs:
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key_value_pairs:
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key_value_pairs:
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key_value_pairs:
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key_value_pairs:
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key_value_pairs:
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calculator: espresso
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key_value_pairs:
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key_value_pairs:
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key_value_pairs:
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key_value_pairs:
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key_value_pairs:
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calculator: espresso
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key_value_pairs:
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[cell repeats an earlier one in this file: 256 characters]

key_value_pairs:
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[cell repeats an earlier one in this file: 256 characters]

key_value_pairs:
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calculator: espresso
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[cell repeats an earlier one in this file: 256 characters]

key_value_pairs:
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username: dulak
calculator: espresso
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calculator_parameters:
[cell repeats an earlier one in this file: 256 characters]

key_value_pairs:
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calculator: espresso
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 256 characters]

key_value_pairs:
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calculator: espresso
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 256 characters]

key_value_pairs:
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unique_id: 5419382735017e494297f2d1df3dc701
username: dulak
calculator: espresso
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 256 characters]

key_value_pairs:
  {"kptdensity": 14.0, "name": "Bi", "linspacestr": "0.98x1.02x5", "calculator_version": 5.0999999999999996, "potentials_version": 0.59999999999999998, "project": "dcdft", "width": 0.01, "time": 14190.039395809174, "dw": 800, "potentials": "sssp_accuracy", "x": 0.98999999999999999, "pw": 100}


unique_id: e59e68de7a5c37ae6a86606503928f85
username: dulak
calculator: espresso
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 256 characters]

key_value_pairs:
  {"kptdensity": 14.0, "name": "Sb", "linspacestr": "0.98x1.02x5", "calculator_version": 5.0999999999999996, "potentials_version": 0.59999999999999998, "project": "dcdft", "width": 0.01, "time": 44877.859128952026, "dw": 800, "potentials": "sssp_accuracy", "x": 1.0, "pw": 100}


unique_id: 8bd4812beec87e99de342b5423496b56
username: dulak
calculator: espresso
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 256 characters]

key_value_pairs:
  {"kptdensity": 14.0, "name": "Bi", "linspacestr": "0.98x1.02x5", "calculator_version": 5.0999999999999996, "potentials_version": 0.59999999999999998, "project": "dcdft", "width": 0.01, "time": 41625.623675107956, "dw": 800, "potentials": "sssp_accuracy", "x": 1.0, "pw": 100}


unique_id: fc78c9aafa19f97c55a5a205711f2883
username: dulak
calculator: espresso
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 256 characters]

key_value_pairs:
  {"kptdensity": 14.0, "name": "Na", "linspacestr": "0.98x1.02x5", "calculator_version": 5.0999999999999996, "potentials_version": 0.59999999999999998, "project": "dcdft", "width": 0.01, "time": 71612.830084085464, "dw": 800, "potentials": "sssp_accuracy", "x": 1.0, "pw": 100}


unique_id: 9c365c32a557e04a1beb8c2f72df8d17
username: dulak
calculator: espresso
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 256 characters]

key_value_pairs:
  {"kptdensity": 14.0, "name": "Sb", "linspacestr": "0.98x1.02x5", "calculator_version": 5.0999999999999996, "potentials_version": 0.59999999999999998, "project": "dcdft", "width": 0.01, "time": 45402.596894025803, "dw": 800, "potentials": "sssp_accuracy", "x": 1.01, "pw": 100}


unique_id: 368898fb8f767777e1d92a3c9b9f3ba6
username: dulak
calculator: espresso
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 256 characters]

key_value_pairs:
  {"kptdensity": 14.0, "name": "Bi", "linspacestr": "0.98x1.02x5", "calculator_version": 5.0999999999999996, "potentials_version": 0.59999999999999998, "project": "dcdft", "width": 0.01, "time": 41250.293539047241, "dw": 800, "potentials": "sssp_accuracy", "x": 1.01, "pw": 100}


unique_id: ecd9758d3882b596bb2c7c0032ee4f63
username: dulak
calculator: espresso
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 256 characters]

key_value_pairs:
  {"kptdensity": 14.0, "name": "Sb", "linspacestr": "0.98x1.02x5", "calculator_version": 5.0999999999999996, "potentials_version": 0.59999999999999998, "project": "dcdft", "width": 0.01, "time": 50199.029479980469, "dw": 800, "potentials": "sssp_accuracy", "x": 1.02, "pw": 100}


unique_id: ce4c690ba641acf41862e06800d766e7
username: dulak
data: null
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unique_id: d484d1429aefbc3ad8ecf4aac4047add
username: dulak
calculator: espresso
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 256 characters]

key_value_pairs:
  {"kptdensity": 14.0, "name": "Bi", "linspacestr": "0.98x1.02x5", "calculator_version": 5.0999999999999996, "potentials_version": 0.59999999999999998, "project": "dcdft", "width": 0.01, "time": 42033.993684053421, "dw": 800, "potentials": "sssp_accuracy", "x": 1.02, "pw": 100}


unique_id: e22c7b7380fee2ad8ba7172d10232053
username: dulak
calculator: espresso
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 256 characters]

key_value_pairs:
  {"kptdensity": 14.0, "name": "Na", "linspacestr": "0.98x1.02x5", "calculator_version": 5.0999999999999996, "potentials_version": 0.59999999999999998, "project": "dcdft", "width": 0.01, "time": 84219.28607916832, "dw": 800, "potentials": "sssp_accuracy", "x": 1.01, "pw": 100}


unique_id: d4c8bad1445ca0d8a69592498349f502
username: dulak
calculator: espresso
data: null
calculator_parameters:
[cell repeats an earlier one in this file: 256 characters]

key_value_pairs:
  {"kptdensity": 14.0, "name": "Na", "linspacestr": "0.98x1.02x5", "calculator_version": 5.0999999999999996, "potentials_version": 0.59999999999999998, "project": "dcdft", "width": 0.01, "time": 71304.947968006134, "dw": 800, "potentials": "sssp_accuracy", "x": 1.02, "pw": 100}


