# systems

unique_id: e3868840d28d23799d5d0a23dee971a0
username: dulak
calculator: gpaw
calculator_parameters: "\"\\\"\\\\\\\"{}\\\\\\\"\\\"\""
data: null
key_value_pairs:
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unique_id: cef288fc61a6d5712473606f81dab08d
username: dulak
calculator: gpaw
calculator_parameters: "\"\\\"\\\\\\\"{}\\\\\\\"\\\"\""
data: null
key_value_pairs:
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unique_id: a3eea18df6bd0cee6bf6b499d114f7a6
username: dulak
calculator: gpaw
calculator_parameters: "\"\\\"\\\\\\\"{}\\\\\\\"\\\"\""
data: null
key_value_pairs:
  {"kptdensity": 16.0, "e": 0.10000000000000001, "name": "Si", "linspacestr": "0.98x1.02x5", "relativistic": false, "potentials": "gpaw", "potentials_version": 0.90000000000000002, "project": "dcdft", "width": 0.01, "constant_basis": 1.0, "calculator_version": "0.10.0.11364", "x": 1.01, "time": 5167.0753328800201, "mode": "fd"}


unique_id: 3656b7b797f2cb368841a4c26b0bca4b
username: dulak
calculator: gpaw
calculator_parameters: "\"\\\"\\\\\\\"{}\\\\\\\"\\\"\""
data: null
key_value_pairs:
  {"kptdensity": 16.0, "e": 0.10000000000000001, "name": "Ar", "linspacestr": "0.98x1.02x5", "relativistic": false, "potentials": "gpaw", "potentials_version": 0.90000000000000002, "project": "dcdft", "width": 0.01, "constant_basis": 1.0, "calculator_version": "0.10.0.11364", "x": 0.98999999999999999, "time": 1112.3596661090851, "mode": "fd"}


unique_id: d8f335fc07855744656158b7c4f05e44
username: dulak
calculator: gpaw
calculator_parameters: "\"\\\"\\\\\\\"{}\\\\\\\"\\\"\""
data: null
key_value_pairs:
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unique_id: 807b732ef485ac174ec670885d42df6a
username: dulak
calculator: gpaw
calculator_parameters: "\"\\\"\\\\\\\"{}\\\\\\\"\\\"\""
data: null
key_value_pairs:
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unique_id: cea47afacb63525e9b7dab7cac5c5f3e
username: dulak
calculator: gpaw
calculator_parameters: "\"\\\"\\\\\\\"{}\\\\\\\"\\\"\""
data: null
key_value_pairs:
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unique_id: efad7b1c4d79e2eedfeec6640ad701f6
username: dulak
calculator: gpaw
calculator_parameters: "\"\\\"\\\\\\\"{}\\\\\\\"\\\"\""
data: null
key_value_pairs:
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unique_id: 3b88f981505f9f266eab8f5ab8f12130
username: dulak
calculator: gpaw
calculator_parameters: "\"\\\"\\\\\\\"{}\\\\\\\"\\\"\""
data: null
key_value_pairs:
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unique_id: dba2fb8923c58364c1b5c92926dd50e5
username: dulak
calculator: gpaw
calculator_parameters: "\"\\\"\\\\\\\"{}\\\\\\\"\\\"\""
data: null
key_value_pairs:
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unique_id: e3e062d77ab5dbd7d76d02db3988d9cc
username: dulak
calculator: gpaw
calculator_parameters: "\"\\\"\\\\\\\"{}\\\\\\\"\\\"\""
data: null
key_value_pairs:
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unique_id: cddb57d785ca0a812360cd266e82c6b5
username: dulak
calculator: gpaw
calculator_parameters: "\"\\\"\\\\\\\"{}\\\\\\\"\\\"\""
data: null
key_value_pairs:
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unique_id: 90f8695aac53f4aae9dce32be293973c
username: dulak
calculator: gpaw
calculator_parameters: "\"\\\"\\\\\\\"{}\\\\\\\"\\\"\""
data: null
key_value_pairs:
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unique_id: 1af12287e84f6223094db510116c4bcf
username: dulak
calculator: gpaw
calculator_parameters: "\"\\\"\\\\\\\"{}\\\\\\\"\\\"\""
data: null
key_value_pairs:
  {"kptdensity": 16.0, "e": 0.10000000000000001, "name": "K", "linspacestr": "0.98x1.02x5", "relativistic": false, "potentials": "gpaw", "potentials_version": 0.90000000000000002, "project": "dcdft", "width": 0.01, "constant_basis": 1.0, "calculator_version": "0.10.0.11364", "x": 1.02, "time": 4113.3799901008606, "mode": "fd"}


unique_id: f0a39ab3075fdef9884a435f98a31d57
username: dulak
calculator: gpaw
calculator_parameters: "\"\\\"\\\\\\\"{}\\\\\\\"\\\"\""
data: null
key_value_pairs:
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unique_id: a05edbe395ef64c4ff6161fe769c5a52
username: dulak
calculator: gpaw
calculator_parameters: "\"\\\"\\\\\\\"{}\\\\\\\"\\\"\""
data: null
key_value_pairs:
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unique_id: d8fbc34ad2ae7e5d98824a57ceff6083
username: dulak
calculator: gpaw
calculator_parameters: "\"\\\"\\\\\\\"{}\\\\\\\"\\\"\""
data: null
key_value_pairs:
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unique_id: a2014eaf5cb9d5b1cbd6910a4b91806a
username: dulak
calculator: gpaw
calculator_parameters: "\"\\\"\\\\\\\"{}\\\\\\\"\\\"\""
data: null
key_value_pairs:
  {"kptdensity": 16.0, "e": 0.10000000000000001, "name": "V", "linspacestr": "0.98x1.02x5", "relativistic": false, "potentials": "gpaw", "potentials_version": 0.90000000000000002, "project": "dcdft", "width": 0.01, "constant_basis": 1.0, "calculator_version": "0.10.0.11364", "x": 1.01, "time": 1078.8094680309296, "mode": "fd"}


unique_id: f0a1e1aad5b58389590a0c3d28702d7c
username: dulak
calculator: gpaw
calculator_parameters: "\"\\\"\\\\\\\"{}\\\\\\\"\\\"\""
data: null
key_value_pairs:
  {"kptdensity": 16.0, "e": 0.10000000000000001, "name": "Ti", "linspacestr": "0.98x1.02x5", "relativistic": false, "potentials": "gpaw", "potentials_version": 0.90000000000000002, "project": "dcdft", "width": 0.01, "constant_basis": 1.0, "calculator_version": "0.10.0.11364", "x": 0.97999999999999998, "time": 7929.0994160175323, "mode": "fd"}


unique_id: 647889095c6a16d8c8800250172e4af5
username: dulak
calculator: gpaw
calculator_parameters: "\"\\\"\\\\\\\"{}\\\\\\\"\\\"\""
data: null
key_value_pairs:
  {"kptdensity": 16.0, "e": 0.10000000000000001, "name": "V", "linspacestr": "0.98x1.02x5", "relativistic": false, "potentials": "gpaw", "potentials_version": 0.90000000000000002, "project": "dcdft", "width": 0.01, "constant_basis": 1.0, "calculator_version": "0.10.0.11364", "x": 1.02, "time": 1041.0653331279755, "mode": "fd"}


unique_id: 6df421b9200a51079ce0ffe51941f7ad
username: dulak
calculator: gpaw
calculator_parameters: "\"\\\"\\\\\\\"{}\\\\\\\"\\\"\""
data: null
key_value_pairs:
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unique_id: 4cf725b281fcd20b782b6af06cb3dd65
username: dulak
calculator: gpaw
calculator_parameters: "\"\\\"\\\\\\\"{}\\\\\\\"\\\"\""
data: null
key_value_pairs:
  {"kptdensity": 16.0, "e": 0.10000000000000001, "name": "Ti", "linspacestr": "0.98x1.02x5", "relativistic": false, "potentials": "gpaw", "potentials_version": 0.90000000000000002, "project": "dcdft", "width": 0.01, "constant_basis": 1.0, "calculator_version": "0.10.0.11364", "x": 0.98999999999999999, "time": 7767.4991681575775, "mode": "fd"}


unique_id: 2fdce4cbc602037837dc4f3573338330
username: dulak
calculator: gpaw
calculator_parameters: "\"\\\"\\\\\\\"{}\\\\\\\"\\\"\""
data: null
key_value_pairs:
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unique_id: 761ab2105ee494f948ec4a543cfe4af4
username: dulak
calculator: gpaw
calculator_parameters: "\"\\\"\\\\\\\"{}\\\\\\\"\\\"\""
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key_value_pairs:
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unique_id: c4502508d0da0b4c0e1c4e1ca5aa55b0
username: dulak
calculator: gpaw
calculator_parameters: "\"\\\"\\\\\\\"{}\\\\\\\"\\\"\""
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key_value_pairs:
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unique_id: ad21cd4f4dbc6056229682309a720c49
username: dulak
calculator: gpaw
calculator_parameters: "\"\\\"\\\\\\\"{}\\\\\\\"\\\"\""
data: null
key_value_pairs:
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unique_id: b9ab4055d3642797e53c5c4154d2da19
username: dulak
calculator: gpaw
calculator_parameters: "\"\\\"\\\\\\\"{}\\\\\\\"\\\"\""
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key_value_pairs:
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unique_id: 1ffbd10a03e5798a6201372ba05e6d9c
username: dulak
calculator: gpaw
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unique_id: c3c489dd137557f4a5353dd7bc12e89d
username: dulak
calculator: gpaw
calculator_parameters: "\"\\\"\\\\\\\"{}\\\\\\\"\\\"\""
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key_value_pairs:
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unique_id: 968250cbec5f82dd99721c7616c8563f
username: dulak
calculator: gpaw
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unique_id: c93f136653791d7612d32d69d4285879
username: dulak
calculator: gpaw
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unique_id: 3e3c43b7c0b7e4fa17786d849a86e0d8
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calculator: gpaw
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calculator: gpaw
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unique_id: d0fc8ef1fbe3c2a1bff5dbb9c6b28578
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calculator: gpaw
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unique_id: a358889f004884636df5e86d768e28a5
username: dulak
calculator: gpaw
calculator_parameters: "\"\\\"\\\\\\\"{}\\\\\\\"\\\"\""
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unique_id: 170018551d696c1dfe38a518d304c862
username: dulak
calculator: gpaw
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unique_id: 8ed8c68ce881c7db56fdb7d3ffd05140
username: dulak
calculator: gpaw
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unique_id: 1e7abb3db7ef712b4d8a74822ed9471d
username: dulak
calculator: abinit
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key_value_pairs:
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unique_id: 44da3ac8346bdd95fb8a5aaf9233dc23
username: dulak
calculator: abinit
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key_value_pairs:
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unique_id: 333688657c1f6654ed61991ebb5b30e6
username: dulak
calculator: abinit
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key_value_pairs:
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unique_id: 804aa9549cf7c76595bad44606dd7909
username: dulak
calculator: abinit
data: null
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key_value_pairs:
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unique_id: e02f969f1acc85648461d4be0fe24b42
username: dulak
calculator: abinit
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key_value_pairs:
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unique_id: 3e7e8640f01a380e8c7782cb09c6b2da
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: 3d2ddbce8ab7d5f81ac40fa1f0f87a4b
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: 512607f906f7eb02ef576313b6dd14d8
username: dulak
calculator: abinit
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key_value_pairs:
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unique_id: ce0fc0476b3adf75fc994a87dad06f6c
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: c6bbed35cd059e058af91c6a31928370
username: dulak
calculator: abinit
data: null
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key_value_pairs:
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unique_id: a88f049f36fceb41291552374fe77816
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: 6a26c3d79f254016f141ed0a720d4eb1
username: dulak
calculator: abinit
data: null
calculator_parameters:
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key_value_pairs:
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unique_id: 43b63750e20971bdc9615c35e3698230
username: dulak
calculator: abinit
data: null
calculator_parameters:
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key_value_pairs:
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unique_id: 2bb7ea87146c1886074d34a65ce5b6e9
username: dulak
calculator: abinit
data: null
calculator_parameters:
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key_value_pairs:
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unique_id: c30798e82ef84023bac87634ebfb59ae
username: dulak
calculator: abinit
data: null
calculator_parameters:
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key_value_pairs:
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unique_id: 48a6e5ef8bf1460d7b6ee8dca7db3841
username: dulak
calculator: abinit
data: null
calculator_parameters:
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key_value_pairs:
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unique_id: 609d2ff6036830029ef123934a4482b1
username: dulak
calculator: abinit
data: null
calculator_parameters:
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key_value_pairs:
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unique_id: 5f504a01c0eef8218ee272a44c0858e4
username: dulak
calculator: abinit
data: null
calculator_parameters:
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key_value_pairs:
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unique_id: c483d58f78f125f461766fd7a8484ded
username: dulak
calculator: abinit
data: null
calculator_parameters:
  "\"\\\"\\\\\\\"{\\\\\\\\\\\\\\\"prtwf\\\\\\\\\\\\\\\": 0, \\\\\\\\\\\\\\\"kpts\\\\\\\\\\\\\\\": [16, 16, 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": "N", "potentials": "gpaw", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 2740.4024951457977, "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: 3cb746c57655eb1af9a39e39aaccc490
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": "Al", "potentials": "gpaw", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 364.33863115310669, "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: a67c49fabc2ec1d1a3c955b64b294910
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": "Al", "potentials": "gpaw", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 381.5779881477356, "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: f349beaf040a04dcc60f6ddafb4a96e6
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": "Ne", "potentials": "gpaw", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 876.13228917121887, "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: cf327cf6198b595fc2bbca8ac6c642c7
username: dulak
calculator: abinit
data: null
calculator_parameters:
  "\"\\\"\\\\\\\"{\\\\\\\\\\\\\\\"prtwf\\\\\\\\\\\\\\\": 0, \\\\\\\\\\\\\\\"kpts\\\\\\\\\\\\\\\": [28, 28, 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": "H", "potentials": "gpaw", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 4107.8326890468597, "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: a072209758c6021dbe6f3cec9e568230
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": "Ne", "potentials": "gpaw", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 881.72748994827271, "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: 3a2b4fc53c8decb42f7a66717ea7cdd4
username: dulak
calculator: abinit
data: null
calculator_parameters:
  "\"\\\"\\\\\\\"{\\\\\\\\\\\\\\\"prtwf\\\\\\\\\\\\\\\": 0, \\\\\\\\\\\\\\\"kpts\\\\\\\\\\\\\\\": [16, 16, 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": 0.97999999999999998, "kptdensity": 16.0, "name": "Ar", "potentials": "gpaw", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 789.94332504272461, "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: 931451f4b51814e8b210dfeb1a08ff4c
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": "N", "potentials": "gpaw", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 2902.2594909667969, "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: 9a17f15a3b9191e8cc68975c366679e2
username: dulak
calculator: abinit
data: null
calculator_parameters:
  "\"\\\"\\\\\\\"{\\\\\\\\\\\\\\\"prtwf\\\\\\\\\\\\\\\": 0, \\\\\\\\\\\\\\\"kpts\\\\\\\\\\\\\\\": [38, 38, 38], \\\\\\\\\\\\\\\"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": "S", "potentials": "gpaw", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 1793.4559841156006, "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: 11c3bdce2de18fe1bf150ff83d50cdf6
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": "Ar", "potentials": "gpaw", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 784.09022879600525, "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: accd0bd6666616f97f40595ff22dc456
username: dulak
calculator: abinit
data: null
calculator_parameters:
  "\"\\\"\\\\\\\"{\\\\\\\\\\\\\\\"prtwf\\\\\\\\\\\\\\\": 0, \\\\\\\\\\\\\\\"kpts\\\\\\\\\\\\\\\": [36, 36, 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": "Mg", "potentials": "gpaw", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 5455.2956459522247, "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: e70fcdec458760a93c19d264a1a7f5ef
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": "Ar", "potentials": "gpaw", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 777.19936418533325, "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: 75cd14edf1592cd4773aecfab792413b
username: dulak
calculator: abinit
data: null
calculator_parameters:
  "\"\\\"\\\\\\\"{\\\\\\\\\\\\\\\"prtwf\\\\\\\\\\\\\\\": 0, \\\\\\\\\\\\\\\"kpts\\\\\\\\\\\\\\\": [48, 48, 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": "C", "potentials": "gpaw", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 5223.3589129447937, "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: 70982c2d8d5272d8696e64c3fa1ceada
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": "Ar", "potentials": "gpaw", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 863.5567581653595, "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: 481d7d5c3f3c5e2f805dd71b031dacba
username: dulak
calculator: abinit
data: null
calculator_parameters:
  "\"\\\"\\\\\\\"{\\\\\\\\\\\\\\\"prtwf\\\\\\\\\\\\\\\": 0, \\\\\\\\\\\\\\\"kpts\\\\\\\\\\\\\\\": [32, 32, 32], \\\\\\\\\\\\\\\"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": "Si", "potentials": "gpaw", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 4309.1481828689575, "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: 82c7bc8f5c206961a9badea20e9a6644
username: dulak
calculator: abinit
data: null
calculator_parameters:
  "\"\\\"\\\\\\\"{\\\\\\\\\\\\\\\"prtwf\\\\\\\\\\\\\\\": 0, \\\\\\\\\\\\\\\"kpts\\\\\\\\\\\\\\\": [38, 38, 38], \\\\\\\\\\\\\\\"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": "S", "potentials": "gpaw", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 1775.1831438541412, "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: d6632530650a0e2f1c7181c19b724e04
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": "H", "potentials": "gpaw", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 4374.0664908885956, "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: 88affb3d395bbdcbe54b330b2d307429
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": "Ar", "potentials": "gpaw", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 955.98021006584167, "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: 1ed1e7e99b515f9e4edf9353c55a3cd8
username: dulak
calculator: abinit
data: null
calculator_parameters:
  "\"\\\"\\\\\\\"{\\\\\\\\\\\\\\\"prtwf\\\\\\\\\\\\\\\": 0, \\\\\\\\\\\\\\\"kpts\\\\\\\\\\\\\\\": [20, 20, 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": "K", "potentials": "gpaw", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 394.78748798370361, "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: e3cd644e62b4c32108f5d344532a5fc3
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": "N", "potentials": "gpaw", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 3072.4502618312836, "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: cd1daf0d0c7c5701202f687921cc2329
username: dulak
calculator: abinit
data: null
calculator_parameters:
  "\"\\\"\\\\\\\"{\\\\\\\\\\\\\\\"prtwf\\\\\\\\\\\\\\\": 0, \\\\\\\\\\\\\\\"kpts\\\\\\\\\\\\\\\": [20, 20, 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": "K", "potentials": "gpaw", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 403.54352593421936, "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: 354d2884156748f122fec1c3b0b10baa
username: dulak
calculator: abinit
data: null
calculator_parameters:
  "\"\\\"\\\\\\\"{\\\\\\\\\\\\\\\"prtwf\\\\\\\\\\\\\\\": 0, \\\\\\\\\\\\\\\"kpts\\\\\\\\\\\\\\\": [38, 38, 38], \\\\\\\\\\\\\\\"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": "S", "potentials": "gpaw", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 1812.2002110481262, "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: c7d531eb50e00747bd014150ba2ca7a0
username: dulak
calculator: abinit
data: null
calculator_parameters:
  "\"\\\"\\\\\\\"{\\\\\\\\\\\\\\\"prtwf\\\\\\\\\\\\\\\": 0, \\\\\\\\\\\\\\\"kpts\\\\\\\\\\\\\\\": [20, 20, 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": "K", "potentials": "gpaw", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 406.7413158416748, "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: f4eb06c2a05fc63323f601a031cc2052
username: dulak
calculator: abinit
data: null
calculator_parameters:
  "\"\\\"\\\\\\\"{\\\\\\\\\\\\\\\"prtwf\\\\\\\\\\\\\\\": 0, \\\\\\\\\\\\\\\"kpts\\\\\\\\\\\\\\\": [18, 18, 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": "Ca", "potentials": "gpaw", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 1404.2755119800568, "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: f32c34cfbb3f328c563887b03c5a5308
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": "K", "potentials": "gpaw", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 544.75281500816345, "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: dcc99e9bc61b4b716af7ebd6c1ce0278
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": "K", "potentials": "gpaw", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 602.03573513031006, "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: 37723efc9fb8206b1d463dceab452a65
username: dulak
calculator: abinit
data: null
calculator_parameters:
  "\"\\\"\\\\\\\"{\\\\\\\\\\\\\\\"prtwf\\\\\\\\\\\\\\\": 0, \\\\\\\\\\\\\\\"kpts\\\\\\\\\\\\\\\": [18, 18, 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": "Ca", "potentials": "gpaw", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 1411.9619271755219, "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: 5c3d0726f21c79b548be62e128dda76a
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": "S", "potentials": "gpaw", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 1877.0113229751587, "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: c343bbae8057286b6374f7f2dc9e76cb
username: dulak
calculator: abinit
data: null
calculator_parameters:
  "\"\\\"\\\\\\\"{\\\\\\\\\\\\\\\"prtwf\\\\\\\\\\\\\\\": 0, \\\\\\\\\\\\\\\"kpts\\\\\\\\\\\\\\\": [36, 36, 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": "Mg", "potentials": "gpaw", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 5479.673672914505, "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: f8d9e52c52504e431cd7b817842ec917
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": "N", "potentials": "gpaw", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 3127.7307929992676, "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: c50ed54dbba8cb630f2907e83e20cf61
username: dulak
calculator: abinit
data: null
calculator_parameters:
  "\"\\\"\\\\\\\"{\\\\\\\\\\\\\\\"prtwf\\\\\\\\\\\\\\\": 0, \\\\\\\\\\\\\\\"kpts\\\\\\\\\\\\\\\": [32, 32, 32], \\\\\\\\\\\\\\\"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": "Si", "potentials": "gpaw", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 4728.8131468296051, "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: af127c7069196d799efac992341173cc
username: dulak
calculator: abinit
data: null
calculator_parameters:
  "\"\\\"\\\\\\\"{\\\\\\\\\\\\\\\"prtwf\\\\\\\\\\\\\\\": 0, \\\\\\\\\\\\\\\"kpts\\\\\\\\\\\\\\\": [48, 48, 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": 1.0, "kptdensity": 16.0, "name": "C", "potentials": "gpaw", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 5389.8052260875702, "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: d178150fdfa7591a13e78e57048d8a16
username: dulak
calculator: abinit
data: null
calculator_parameters:
  "\"\\\"\\\\\\\"{\\\\\\\\\\\\\\\"prtwf\\\\\\\\\\\\\\\": 0, \\\\\\\\\\\\\\\"kpts\\\\\\\\\\\\\\\": [34, 34, 34], \\\\\\\\\\\\\\\"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": "V", "potentials": "gpaw", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 579.12042593955994, "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: d37e05be1ca0300aec925689dd2d54e8
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": "H", "potentials": "gpaw", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 4432.3296539783478, "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: 8e16ae7ddc57e3db6b1c5d3d5711e295
username: dulak
calculator: abinit
data: null
calculator_parameters:
  "\"\\\"\\\\\\\"{\\\\\\\\\\\\\\\"prtwf\\\\\\\\\\\\\\\": 0, \\\\\\\\\\\\\\\"kpts\\\\\\\\\\\\\\\": [18, 18, 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": "Ca", "potentials": "gpaw", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 1482.5902440547943, "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: 4b8ebcf84e3288e6de48108238b4f7ac
username: dulak
calculator: abinit
data: null
calculator_parameters:
  "\"\\\"\\\\\\\"{\\\\\\\\\\\\\\\"prtwf\\\\\\\\\\\\\\\": 0, \\\\\\\\\\\\\\\"kpts\\\\\\\\\\\\\\\": [34, 34, 34], \\\\\\\\\\\\\\\"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": "V", "potentials": "gpaw", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 512.47990584373474, "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: 6e193354b20e2aa5c742b1d901c04ac8
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": "S", "potentials": "gpaw", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 1890.5924050807953, "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: 41fdb97a55bd998a3f13cbc993033325
username: dulak
calculator: abinit
data: null
calculator_parameters:
  "\"\\\"\\\\\\\"{\\\\\\\\\\\\\\\"prtwf\\\\\\\\\\\\\\\": 0, \\\\\\\\\\\\\\\"kpts\\\\\\\\\\\\\\\": [34, 34, 34], \\\\\\\\\\\\\\\"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": "V", "potentials": "gpaw", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 667.29394292831421, "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: 210249e18597e0779dcdad24f4377531
username: dulak
calculator: abinit
data: null
calculator_parameters:
  "\"\\\"\\\\\\\"{\\\\\\\\\\\\\\\"prtwf\\\\\\\\\\\\\\\": 0, \\\\\\\\\\\\\\\"kpts\\\\\\\\\\\\\\\": [36, 36, 36], \\\\\\\\\\\\\\\"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": "Cr", "potentials": "gpaw", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 1378.20827293396, "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: 89f2578f3d37105951fdac1d51f66586
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": "V", "potentials": "gpaw", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 632.01007699966431, "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: b7cf9c310be3d71779312ba1104e3f82
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": "Ca", "potentials": "gpaw", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 1512.3309500217438, "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: d9fe1be0c1f3eba2f12c388db166a1a8
username: dulak
calculator: abinit
data: null
calculator_parameters:
  "\"\\\"\\\\\\\"{\\\\\\\\\\\\\\\"prtwf\\\\\\\\\\\\\\\": 0, \\\\\\\\\\\\\\\"kpts\\\\\\\\\\\\\\\": [36, 36, 36], \\\\\\\\\\\\\\\"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": "Fe", "potentials": "gpaw", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 1359.2801089286804, "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: a51c6f77449b189e82fcff8c2a3ecb04
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": "V", "potentials": "gpaw", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 645.16863989830017, "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: b282e1afe9871a3dbfb30fd056f33bbe
username: dulak
calculator: abinit
data: null
calculator_parameters:
  "\"\\\"\\\\\\\"{\\\\\\\\\\\\\\\"prtwf\\\\\\\\\\\\\\\": 0, \\\\\\\\\\\\\\\"kpts\\\\\\\\\\\\\\\": [36, 36, 36], \\\\\\\\\\\\\\\"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": "Cr", "potentials": "gpaw", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 1548.8067629337311, "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: c2c0e54bb3ac098bdc21394c5a09863f
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": "Ca", "potentials": "gpaw", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 1517.6922650337219, "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: 7d75b3e9fd978c6de08161135b0a1912
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": "Fe", "potentials": "gpaw", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 1512.4142391681671, "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: abfed7b21256bf045814c409d6d68daa
username: dulak
calculator: abinit
data: null
calculator_parameters:
  "\"\\\"\\\\\\\"{\\\\\\\\\\\\\\\"prtwf\\\\\\\\\\\\\\\": 0, \\\\\\\\\\\\\\\"kpts\\\\\\\\\\\\\\\": [28, 28, 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": "Cu", "potentials": "gpaw", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 1280.6777610778809, "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: df9be5fde93367b3dd48bf482c22627c
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": "Cr", "potentials": "gpaw", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 1664.6874580383301, "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: a381d62c5ab2ef15b9b59c76d63ce370
username: dulak
calculator: abinit
data: null
calculator_parameters:
  "\"\\\"\\\\\\\"{\\\\\\\\\\\\\\\"prtwf\\\\\\\\\\\\\\\": 0, \\\\\\\\\\\\\\\"kpts\\\\\\\\\\\\\\\": [32, 32, 32], \\\\\\\\\\\\\\\"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": "Si", "potentials": "gpaw", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 4779.1565799713135, "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: 1ae2e4fb55aaeb5aa8b9ef7f2227b348
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": "Ti", "potentials": "gpaw", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 5731.1789259910583, "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: 64371dc65698230aa464db4142b8c049
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": "Fe", "potentials": "gpaw", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 1432.8219192028046, "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: 528a5d35ef4ce9a1b464a2290d4f2218
username: dulak
calculator: abinit
data: null
calculator_parameters:
  "\"\\\"\\\\\\\"{\\\\\\\\\\\\\\\"prtwf\\\\\\\\\\\\\\\": 0, \\\\\\\\\\\\\\\"kpts\\\\\\\\\\\\\\\": [28, 28, 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": "Cu", "potentials": "gpaw", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 1234.1817629337311, "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: afe866b302a67823569ca3f8bf03e69a
username: dulak
calculator: abinit
data: null
calculator_parameters:
  "\"\\\"\\\\\\\"{\\\\\\\\\\\\\\\"prtwf\\\\\\\\\\\\\\\": 0, \\\\\\\\\\\\\\\"kpts\\\\\\\\\\\\\\\": [36, 36, 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": "Mg", "potentials": "gpaw", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 6292.9899959564209, "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: 7fd2fd4cf43da5cbd027db1c8d7050d9
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": "C", "potentials": "gpaw", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 5575.4947221279144, "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: b1ee086f56dee57731434ce6ab4e3533
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": "Cr", "potentials": "gpaw", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 1705.1830110549927, "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: a473f85764498904b152a8c383d5a8b3
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": 0.97999999999999998, "kptdensity": 16.0, "name": "P", "potentials": "gpaw", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 15414.751616001129, "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: b2949cf34822e928024c615531732257
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": "Fe", "potentials": "gpaw", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 1423.8078742027283, "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: e75129762a1b0423bc2cfd9de356c3c7
username: dulak
calculator: abinit
data: null
calculator_parameters:
  "\"\\\"\\\\\\\"{\\\\\\\\\\\\\\\"prtwf\\\\\\\\\\\\\\\": 0, \\\\\\\\\\\\\\\"kpts\\\\\\\\\\\\\\\": [28, 28, 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": "Cu", "potentials": "gpaw", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 1324.4547741413116, "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: 24331382848849744bb2b3038305fe10
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": "Cr", "potentials": "gpaw", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 1712.9571840763092, "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: 3a6d97651e75429b4f6eb3716edccaf4
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": "Cu", "potentials": "gpaw", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 1372.2415671348572, "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: 420f03d1b395e07f487aac05eb477659
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": "Fe", "potentials": "gpaw", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 1462.8675849437714, "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: 8b09e1644f86f6cd0540fab24c06e8ac
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": 0.97999999999999998, "kptdensity": 16.0, "name": "Sc", "potentials": "gpaw", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 10057.677133083344, "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: 46104db28836940abdbdaa24ed51f83d
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": "Cu", "potentials": "gpaw", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 1455.899384021759, "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: 1c44e59441ed7b579d1f89e16b4f4c1e
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": "Si", "potentials": "gpaw", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 4898.01509308815, "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: 8fbf7d8a6e747ea90a425617b4f5e61a
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": "Ti", "potentials": "gpaw", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 5859.8104419708252, "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: c7f397a50c36f4e327f4a396c0e56339
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": "Mg", "potentials": "gpaw", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 6111.6535918712616, "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: 4b1f9c8497ccd297eec8cb1ebdfbbf18
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": "C", "potentials": "gpaw", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 6049.5276880264282, "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: b4e1fc3d56e63aebd56125ffc0f651c5
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": "Ge", "potentials": "gpaw", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 4448.9245760440826, "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: 9ada2dff4cf17f5069066965a350b69e
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": "Kr", "potentials": "gpaw", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 1046.4478049278259, "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: 8bd613550396eca2680321594fa1e694
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": "Rb", "potentials": "gpaw", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 457.5025589466095, "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: 3b9115926934aede41520aef879e2157
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": "Rb", "potentials": "gpaw", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 480.242760181427, "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: b00915af797472f8fe7bec1309a752b2
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": 0.97999999999999998, "kptdensity": 16.0, "name": "Ga", "potentials": "gpaw", "linspacestr": "0.98x1.02x5", "pawecutdg": 300, "time": 9826.0922980308533, "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}


