raw/materials_project/materials_project-part-122.jsonl

{"cif": "# generated using pymatgen\ndata_Zn3Se\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   5.88061973\n_cell_length_b   5.88061973\n_cell_length_c   4.78509100\n_cell_angle_alpha   90.00000000\n_cell_angle_beta   90.00000000\n_cell_angle_gamma   119.99999698\n_symmetry_Int_Tables_number   1\n_chemical_formula_structural   Zn3Se\n_chemical_formula_sum   'Zn6 Se2'\n_cell_volume   143.30687966\n_cell_formula_units_Z   2\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n  1  'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n  Zn  Zn0  1  0.15952500  0.31905000  0.25000000  1.0\n  Zn  Zn1  1  0.68095000  0.84047500  0.25000000  1.0\n  Zn  Zn2  1  0.15952500  0.84047500  0.25000000  1.0\n  Zn  Zn3  1  0.84047500  0.68095000  0.75000000  1.0\n  Zn  Zn4  1  0.31905000  0.15952500  0.75000000  1.0\n  Zn  Zn5  1  0.84047500  0.15952500  0.75000000  1.0\n  Se  Se6  1  0.33333300  0.66666700  0.75000000  1.0\n  Se  Se7  1  0.66666700  0.33333300  0.25000000  1.0\n", "composition": {"Se": 2.0, "Zn": 6.0}, "description": "", "elements": ["Se", "Zn"], "formula": "Zn3Se", "identifiers": {"materials_project_id": "mp-982778"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.0, "density": 6.377345816962462, "energy_above_hull": 0.49352519875000045, "formation_energy_per_atom": 0.017744683164062414, "is_stable": false, "ordering": "NM", "theoretical": true, "total_magnetization": 0.0006863, "volume": 143.30687965625737}, "record_id": "mp-982778", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 5.880619731529663, "alpha": 90.0, "b": 5.880619731529663, "beta": 90.0, "c": 4.785091, "gamma": 119.99999697959475, "matrix": [[2.94031, -5.092766, 0.0], [2.94031, 5.092766, 0.0], [0.0, 0.0, 4.785091]], "pbc": [true, true, true], "volume": 143.30687965625737}, "properties": {}, "sites": [{"abc": [0.159525, 0.31905, 0.25], "label": "Zn", "properties": {"magmom": 0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [1.40715885825, 0.81242349615, 1.19627275]}, {"abc": [0.68095, 0.840475, 0.25], "label": "Zn", "properties": {"magmom": 0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [4.4734611417500005, 0.8124234961499996, 1.19627275]}, {"abc": [0.159525, 0.840475, 0.25], "label": "Zn", "properties": {"magmom": 0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [2.94031, 3.4679190077, 1.19627275]}, {"abc": [0.840475, 0.68095, 0.75], "label": "Zn", "properties": {"magmom": 0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [4.4734611417500005, -0.8124234961499996, 3.58881825]}, {"abc": [0.31905, 0.159525, 0.75], "label": "Zn", "properties": {"magmom": 0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [1.40715885825, -0.81242349615, 3.58881825]}, {"abc": [0.840475, 0.159525, 0.75], "label": "Zn", "properties": {"magmom": 0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [2.94031, -3.4679190077, 3.58881825]}, {"abc": [0.333333, 0.666667, 0.75], "label": "Se", "properties": {"magmom": -0.0}, "species": [{"element": "Se", "occu": 1.0}], "xyz": [2.94031, 1.6975920618440004, 3.58881825]}, {"abc": [0.666667, 0.333333, 0.25], "label": "Se", "properties": {"magmom": -0.0}, "species": [{"element": "Se", "occu": 1.0}], "xyz": [2.94031, -1.6975920618440004, 1.19627275]}], "symmetry": {"angle_tolerance": 5.0, "crystal_system": "Hexagonal", "hall": "-P 6c 2c", "number": 194, "point_group": "6/mmm", "symbol": "P6_3/mmc", "symprec": 0.1, "version": "2.7.0"}}}
{"cif": "# generated using pymatgen\ndata_Zn3Se\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   4.14678700\n_cell_length_b   4.14678700\n_cell_length_c   4.14678700\n_cell_angle_alpha   90.00000000\n_cell_angle_beta   90.00000000\n_cell_angle_gamma   90.00000000\n_symmetry_Int_Tables_number   1\n_chemical_formula_structural   Zn3Se\n_chemical_formula_sum   'Zn3 Se1'\n_cell_volume   71.30749582\n_cell_formula_units_Z   1\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n  1  'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n  Zn  Zn0  1  0.00000000  0.50000000  0.50000000  1.0\n  Zn  Zn1  1  0.50000000  0.00000000  0.50000000  1.0\n  Zn  Zn2  1  0.50000000  0.50000000  0.00000000  1.0\n  Se  Se3  1  0.00000000  0.00000000  0.00000000  1.0\n", "composition": {"Se": 1.0, "Zn": 3.0}, "description": "", "elements": ["Se", "Zn"], "formula": "Zn3Se", "identifiers": {"materials_project_id": "mp-1187912"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.0, "density": 6.4082851253486455, "energy_above_hull": 0.48865503000000077, "formation_energy_per_atom": 0.012874514414062732, "is_stable": false, "ordering": "NM", "theoretical": true, "total_magnetization": 0.0005563, "volume": 71.30749581527505}, "record_id": "mp-1187912", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 4.146787, "alpha": 90.0, "b": 4.146787, "beta": 90.0, "c": 4.146787, "gamma": 90.0, "matrix": [[4.146787, 0.0, 0.0], [0.0, 4.146787, 0.0], [0.0, 0.0, 4.146787]], "pbc": [true, true, true], "volume": 71.30749581527505}, "properties": {}, "sites": [{"abc": [0.0, 0.5, 0.5], "label": "Zn", "properties": {"magmom": -0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [0.0, 2.0733935, 2.0733935]}, {"abc": [0.5, 0.0, 0.5], "label": "Zn", "properties": {"magmom": -0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [2.0733935, 0.0, 2.0733935]}, {"abc": [0.5, 0.5, 0.0], "label": "Zn", "properties": {"magmom": -0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [2.0733935, 2.0733935, 0.0]}, {"abc": [0.0, 0.0, 0.0], "label": "Se", "properties": {"magmom": 0.0}, "species": [{"element": "Se", "occu": 1.0}], "xyz": [0.0, 0.0, 0.0]}], "symmetry": {"angle_tolerance": 5.0, "crystal_system": "Cubic", "hall": "-P 4 2 3", "number": 221, "point_group": "m-3m", "symbol": "Pm-3m", "symprec": 0.1, "version": "2.7.0"}}}
{"cif": "# generated using pymatgen\ndata_ZnSe\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   3.99683864\n_cell_length_b   3.99683795\n_cell_length_c   6.56955405\n_cell_angle_alpha   90.00000000\n_cell_angle_beta   90.00000000\n_cell_angle_gamma   120.00000571\n_symmetry_Int_Tables_number   1\n_chemical_formula_structural   ZnSe\n_chemical_formula_sum   'Zn2 Se2'\n_cell_volume   90.88655716\n_cell_formula_units_Z   2\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n  1  'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n  Zn  Zn0  1  0.33333300  0.66666700  0.00052056  1.0\n  Zn  Zn1  1  0.66666700  0.33333300  0.50052056  1.0\n  Se  Se2  1  0.33333300  0.66666700  0.37447944  1.0\n  Se  Se3  1  0.66666700  0.33333300  0.87447944  1.0\n", "composition": {"Se": 2.0, "Zn": 2.0}, "description": "", "elements": ["Se", "Zn"], "formula": "ZnSe", "identifiers": {"materials_project_id": "mp-380"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 1.2003000000000001, "density": 5.275375640224281, "energy_above_hull": 0.004020032499999715, "formation_energy_per_atom": -0.9475409986718764, "is_stable": false, "ordering": "Unknown", "theoretical": false, "total_magnetization": 0.0, "volume": 90.88655716305327}, "record_id": "mp-380", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 3.99683864, "alpha": 90.0, "b": 3.9968379497195357, "beta": 90.0, "c": 6.56955405, "gamma": 120.00000571308993, "matrix": [[3.99683864, 0.0, 0.0], [-1.99841932, 3.461363, 0.0], [0.0, -0.0, 6.56955405]], "pbc": [true, true, true], "volume": 90.88655716305327}, "properties": {}, "sites": [{"abc": [0.333333, 0.666667, 0.00052056], "label": "Zn", "properties": {}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [-1.9984193200262013e-06, 2.307576487121, 0.003419847056268]}, {"abc": [0.666667, 0.333333, 0.50052056], "label": "Zn", "properties": {}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [1.9984213184193198, 1.153786512879, 3.2881968720562678]}, {"abc": [0.333333, 0.666667, 0.37447944], "label": "Se", "properties": {}, "species": [{"element": "Se", "occu": 1.0}], "xyz": [-1.9984193200262013e-06, 2.307576487121, 2.460162921693732]}, {"abc": [0.666667, 0.333333, 0.87447944], "label": "Se", "properties": {}, "species": [{"element": "Se", "occu": 1.0}], "xyz": [1.9984213184193198, 1.153786512879, 5.744939946693732]}], "symmetry": {"angle_tolerance": 5.0, "crystal_system": "Hexagonal", "hall": "P 6c -2c", "number": 186, "point_group": "6mm", "symbol": "P6_3mc", "symprec": 0.1, "version": "2.7.0"}}}
{"cif": "# generated using pymatgen\ndata_ZnSe\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   4.00567901\n_cell_length_b   4.00567836\n_cell_length_c   4.00567877\n_cell_angle_alpha   59.99999652\n_cell_angle_beta   60.00000191\n_cell_angle_gamma   59.99999588\n_symmetry_Int_Tables_number   1\n_chemical_formula_structural   ZnSe\n_chemical_formula_sum   'Zn1 Se1'\n_cell_volume   45.44784772\n_cell_formula_units_Z   1\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n  1  'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n  Zn  Zn0  1  -0.00000000  0.00000000  -0.00000000  1.0\n  Se  Se1  1  0.25000000  0.25000000  0.25000000  1.0\n", "composition": {"Se": 1.0, "Zn": 1.0}, "description": "", "elements": ["Se", "Zn"], "formula": "ZnSe", "identifiers": {"materials_project_id": "mp-1190"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 1.1687, "density": 5.2748452761486675, "energy_above_hull": 0.0, "formation_energy_per_atom": -0.9515610311718761, "is_stable": true, "ordering": "Unknown", "theoretical": false, "total_magnetization": 0.0, "volume": 45.44784771695639}, "record_id": "mp-1190", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 4.005679011332485, "alpha": 59.99999651610043, "b": 4.005678358128986, "beta": 60.000001910391944, "c": 4.00567877, "gamma": 59.99999587930295, "matrix": [[3.46901985, 0.0, 2.00283939], [1.15633995, 3.27062248, 2.00283939], [-0.0, -0.0, 4.00567877]], "pbc": [true, true, true], "volume": 45.44784771695639}, "properties": {}, "sites": [{"abc": [-0.0, 0.0, -0.0], "label": "Zn", "properties": {}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [0.0, 0.0, 0.0]}, {"abc": [0.25, 0.25, 0.25], "label": "Se", "properties": {}, "species": [{"element": "Se", "occu": 1.0}], "xyz": [1.15633995, 0.81765562, 2.0028393875]}], "symmetry": {"angle_tolerance": 5.0, "crystal_system": "Cubic", "hall": "F -4 2 3", "number": 216, "point_group": "-43m", "symbol": "F-43m", "symprec": 0.1, "version": "2.7.0"}}}
{"cif": "# generated using pymatgen\ndata_ZnSe\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   4.10770200\n_cell_length_b   4.10770200\n_cell_length_c   6.07035000\n_cell_angle_alpha   90.00000000\n_cell_angle_beta   90.00000000\n_cell_angle_gamma   90.00000000\n_symmetry_Int_Tables_number   1\n_chemical_formula_structural   ZnSe\n_chemical_formula_sum   'Zn2 Se2'\n_cell_volume   102.42632505\n_cell_formula_units_Z   2\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n  1  'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n  Zn  Zn0  1  0.00000000  0.00000000  0.00000000  1.0\n  Zn  Zn1  1  0.50000000  0.50000000  0.00000000  1.0\n  Se  Se2  1  0.00000000  0.50000000  0.24628000  1.0\n  Se  Se3  1  0.50000000  0.00000000  0.75372000  1.0\n", "composition": {"Se": 2.0, "Zn": 2.0}, "description": "", "elements": ["Se", "Zn"], "formula": "ZnSe", "identifiers": {"materials_project_id": "mp-569679"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 1.9672, "density": 4.6810302863459, "energy_above_hull": 0.15999977750000127, "formation_energy_per_atom": -0.7915612536718748, "is_stable": false, "ordering": "NM", "theoretical": true, "total_magnetization": 6e-07, "volume": 102.42632505078255}, "record_id": "mp-569679", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 4.107702, "alpha": 90.0, "b": 4.107702, "beta": 90.0, "c": 6.07035, "gamma": 90.0, "matrix": [[4.107702, 0.0, 0.0], [0.0, 4.107702, 0.0], [0.0, 0.0, 6.07035]], "pbc": [true, true, true], "volume": 102.42632505078255}, "properties": {}, "sites": [{"abc": [0.0, 0.0, 0.0], "label": "Zn", "properties": {"magmom": -0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [0.0, 0.0, 0.0]}, {"abc": [0.5, 0.5, 0.0], "label": "Zn", "properties": {"magmom": -0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [2.053851, 2.053851, 0.0]}, {"abc": [0.0, 0.5, 0.24628], "label": "Se", "properties": {"magmom": 0.0}, "species": [{"element": "Se", "occu": 1.0}], "xyz": [0.0, 2.053851, 1.495005798]}, {"abc": [0.5, 0.0, 0.75372], "label": "Se", "properties": {"magmom": 0.0}, "species": [{"element": "Se", "occu": 1.0}], "xyz": [2.053851, 0.0, 4.575344202]}], "symmetry": {"angle_tolerance": 5.0, "crystal_system": "Tetragonal", "hall": "P 4ab 2ab -1ab", "number": 129, "point_group": "4/mmm", "symbol": "P4/nmm", "symprec": 0.1, "version": "2.7.0"}}}
{"cif": "# generated using pymatgen\ndata_ZnSe2\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   6.37412900\n_cell_length_b   6.37412900\n_cell_length_c   6.37412900\n_cell_angle_alpha   90.00000000\n_cell_angle_beta   90.00000000\n_cell_angle_gamma   90.00000000\n_symmetry_Int_Tables_number   1\n_chemical_formula_structural   ZnSe2\n_chemical_formula_sum   'Zn4 Se8'\n_cell_volume   258.97780493\n_cell_formula_units_Z   4\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n  1  'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n  Zn  Zn0  1  0.50000000  0.50000000  0.00000000  1.0\n  Zn  Zn1  1  0.50000000  0.00000000  0.50000000  1.0\n  Zn  Zn2  1  0.00000000  0.50000000  0.50000000  1.0\n  Zn  Zn3  1  0.00000000  0.00000000  0.00000000  1.0\n  Se  Se4  1  0.10852300  0.89147700  0.39147700  1.0\n  Se  Se5  1  0.89147700  0.39147700  0.10852300  1.0\n  Se  Se6  1  0.39147700  0.10852300  0.89147700  1.0\n  Se  Se7  1  0.60852300  0.60852300  0.60852300  1.0\n  Se  Se8  1  0.89147700  0.10852300  0.60852300  1.0\n  Se  Se9  1  0.10852300  0.60852300  0.89147700  1.0\n  Se  Se10  1  0.60852300  0.89147700  0.10852300  1.0\n  Se  Se11  1  0.39147700  0.39147700  0.39147700  1.0\n", "composition": {"Se": 8.0, "Zn": 4.0}, "description": "", "elements": ["Se", "Zn"], "formula": "ZnSe2", "identifiers": {"materials_project_id": "mp-1102515"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.7291999999999996, "density": 5.7278503819700255, "energy_above_hull": 0.0, "formation_energy_per_atom": -0.6441616723958331, "is_stable": true, "ordering": "NM", "theoretical": false, "total_magnetization": 0.0, "volume": 258.97780493022333}, "record_id": "mp-1102515", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 6.374129, "alpha": 90.0, "b": 6.374129, "beta": 90.0, "c": 6.374129, "gamma": 90.0, "matrix": [[6.374129, 0.0, 0.0], [0.0, 6.374129, 0.0], [0.0, 0.0, 6.374129]], "pbc": [true, true, true], "volume": 258.97780493022333}, "properties": {}, "sites": [{"abc": [0.5, 0.5, 0.0], "label": "Zn", "properties": {"magmom": -0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [3.1870645, 3.1870645, 0.0]}, {"abc": [0.5, 0.0, 0.5], "label": "Zn", "properties": {"magmom": -0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [3.1870645, 0.0, 3.1870645]}, {"abc": [0.0, 0.5, 0.5], "label": "Zn", "properties": {"magmom": -0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [0.0, 3.1870645, 3.1870645]}, {"abc": [0.0, 0.0, 0.0], "label": "Zn", "properties": {"magmom": -0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [0.0, 0.0, 0.0]}, {"abc": [0.108523, 0.891477, 0.391477], "label": "Se", "properties": {"magmom": -0.0}, "species": [{"element": "Se", "occu": 1.0}], "xyz": [0.691739601467, 5.682389398533, 2.495324898533]}, {"abc": [0.891477, 0.391477, 0.108523], "label": "Se", "properties": {"magmom": -0.0}, "species": [{"element": "Se", "occu": 1.0}], "xyz": [5.682389398533, 2.495324898533, 0.691739601467]}, {"abc": [0.391477, 0.108523, 0.891477], "label": "Se", "properties": {"magmom": -0.0}, "species": [{"element": "Se", "occu": 1.0}], "xyz": [2.495324898533, 0.691739601467, 5.682389398533]}, {"abc": [0.608523, 0.608523, 0.608523], "label": "Se", "properties": {"magmom": -0.0}, "species": [{"element": "Se", "occu": 1.0}], "xyz": [3.8788041014670003, 3.8788041014670003, 3.8788041014670003]}, {"abc": [0.891477, 0.108523, 0.608523], "label": "Se", "properties": {"magmom": -0.0}, "species": [{"element": "Se", "occu": 1.0}], "xyz": [5.682389398533, 0.691739601467, 3.8788041014670003]}, {"abc": [0.108523, 0.608523, 0.891477], "label": "Se", "properties": {"magmom": -0.0}, "species": [{"element": "Se", "occu": 1.0}], "xyz": [0.691739601467, 3.8788041014670003, 5.682389398533]}, {"abc": [0.608523, 0.891477, 0.108523], "label": "Se", "properties": {"magmom": -0.0}, "species": [{"element": "Se", "occu": 1.0}], "xyz": [3.8788041014670003, 5.682389398533, 0.691739601467]}, {"abc": [0.391477, 0.391477, 0.391477], "label": "Se", "properties": {"magmom": -0.0}, "species": [{"element": "Se", "occu": 1.0}], "xyz": [2.495324898533, 2.495324898533, 2.495324898533]}], "symmetry": {"angle_tolerance": 5.0, "crystal_system": "Cubic", "hall": "-P 2ac 2ab 3", "number": 205, "point_group": "m-3", "symbol": "Pa-3", "symprec": 0.1, "version": "2.7.0"}}}