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LobsterCompleteDos_nonspin.json
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LobsterCompleteDos_nonspin.json
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{"atom_dos": {"F": {"densities": {"1": [0.0, 0.012860000000000002, 0.0, 1.54922, 0.0, 0.0017100000000000001]}, "efermi": 0.0, "@module": "pymatgen.electronic_structure.dos", "energies": [-11.25, -7.5, -3.75, 0.0, 3.75, 7.5], "@class": "Dos"}, "K": {"densities": {"1": [0.0, 1.58713, 0.0, 0.05079, 0.0, 0.022449999999999998]}, "efermi": 0.0, "@module": "pymatgen.electronic_structure.dos", "energies": [-11.25, -7.5, -3.75, 0.0, 3.75, 7.5], "@class": "Dos"}}, "spd_dos": {"s": {"densities": {"1": [0.0, 0.0036000000000000003, 0.0, 0.04061, 0.0, 0.023049999999999998]}, "efermi": 0.0, "@module": "pymatgen.electronic_structure.dos", "energies": [-11.25, -7.5, -3.75, 0.0, 3.75, 7.5], "@class": "Dos"}, "p": {"densities": {"1": [0.0, 1.59639, 0.0, 1.5594000000000001, 0.0, 0.0011099999999999999]}, "efermi": 0.0, "@module": "pymatgen.electronic_structure.dos", "energies": [-11.25, -7.5, -3.75, 0.0, 3.75, 7.5], "@class": "Dos"}}, "pdos": [{"2p_x": {"densities": {"1": [0.0, 0.00322, 0.0, 0.51634, 0.0, 0.00037]}}, "2s": {"densities": {"1": [0.0, 0.0032, 0.0, 0.00017, 0.0, 0.0006]}}, "2p_y": {"densities": {"1": [0.0, 0.00322, 0.0, 0.51635, 0.0, 0.00037]}}, "2p_z": {"densities": {"1": [0.0, 0.00322, 0.0, 0.51636, 0.0, 0.00037]}}}, {"3p_y": {"densities": {"1": [0.0, 0.52891, 0.0, 0.00345, 0.0, 0.0]}}, "3p_x": {"densities": {"1": [0.0, 0.52891, 0.0, 0.00345, 0.0, 0.0]}}, "3s": {"densities": {"1": [0.0, 0.0, 0.0, 5e-05, 0.0, 4e-05]}}, "3p_z": {"densities": {"1": [0.0, 0.52891, 0.0, 0.00345, 0.0, 0.0]}}, "4s": {"densities": {"1": [0.0, 0.0004, 0.0, 0.04039, 0.0, 0.02241]}}}], "densities": {"1": [0.0, 1.6, 0.0, 1.6, 0.0, 0.02418]}, "@module": "Lobster", "structure": {"lattice": {"gamma": 60.000005063553196, "beta": 60.000004421553925, "alpha": 60.000001557764826, "b": 3.8353361806106387, "c": 3.835336, "a": 3.835336512644621, "matrix": [[3.321499, 0.0, 1.917668], [1.107166, 3.131539, 1.917668], [0.0, 0.0, 3.835336]], "volume": 39.892877896074175}, "@module": "pymatgen.core.structure", "charge": null, "@class": "Structure", "sites": [{"xyz": [2.2143325000000003, 1.5657695, 3.835336], "species": [{"element": "F", "occu": 1}], "label": "F", "abc": [0.5, 0.5, 0.5]}, {"xyz": [0.0, 0.0, 0.0], "species": [{"element": "K", "occu": 1}], "label": "K", "abc": [0.0, 0.0, 0.0]}]}, "@class": "LobsterCompleteDos", "efermi": 0.0, "energies": [-11.25, -7.5, -3.75, 0.0, 3.75, 7.5]}