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EnumerateTest.json
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EnumerateTest.json
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{"lattice": {"a": 5.0, "gamma": 90.0, "c": 5.0, "b": 5.0, "matrix": [[-5.0, 0.0, -3.061616997868383e-16], [3.061616997868383e-16, -5.0, -3.061616997868383e-16], [0.0, 0.0, -5.0]], "volume": 125.0, "alpha": 90.0, "beta": 90.0}, "sites": [{"properties": {}, "abc": [0.75, 0.75, 0.75], "xyz": [-3.7499999999999996, -3.75, -3.7500000000000004], "species": [{"occu": 1.0, "element": "Li"}], "label": "Li"}, {"properties": {}, "abc": [0.75, 0.25, 0.25], "xyz": [-3.75, -1.25, -1.2500000000000002], "species": [{"occu": 1.0, "element": "Li"}], "label": "Li"}, {"properties": {}, "abc": [0.25, 0.75, 0.25], "xyz": [-1.2499999999999998, -3.75, -1.2500000000000002], "species": [{"occu": 1.0, "element": "Li"}], "label": "Li"}, {"properties": {}, "abc": [0.25, 0.25, 0.75], "xyz": [-1.25, -1.25, -3.75], "species": [{"occu": 1.0, "element": "Li"}], "label": "Li"}, {"properties": {}, "abc": [0.25, 0.25, 0.25], "xyz": [-1.25, -1.25, -1.2500000000000002], "species": [{"occu": 1.0, "element": "Li"}], "label": "Li"}, {"properties": {}, "abc": [0.25, 0.75, 0.75], "xyz": [-1.2499999999999998, -3.75, -3.7500000000000004], "species": [{"occu": 1.0, "element": "Li"}], "label": "Li"}, {"properties": {}, "abc": [0.75, 0.25, 0.75], "xyz": [-3.75, -1.25, -3.7500000000000004], "species": [{"occu": 1.0, "element": "Li"}], "label": "Li"}, {"properties": {}, "abc": [0.75, 0.75, 0.25], "xyz": [-3.7499999999999996, -3.75, -1.2500000000000004], "species": [{"occu": 1.0, "element": "Li"}], "label": "Li"}, {"properties": {}, "abc": [0.5, 0.5, 0.5], "xyz": [-2.5, -2.5, -2.5000000000000004], "species": [{"occu": 1.0, "element": "Li"}], "label": "Li"}, {"properties": {}, "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "species": [{"occu": 0.75, "element": "H"}, {"occu": 0.25, "element": "He"}], "label": "He:0.250, H:0.750"}, {"properties": {}, "abc": [0.0, 0.5, 0.5], "xyz": [1.5308084989341916e-16, -2.5, -2.5], "species": [{"occu": 0.75, "element": "H"}, {"occu": 0.25, "element": "He"}], "label": "He:0.250, H:0.750"}, {"properties": {}, "abc": [0.5, 0.0, 0.5], "xyz": [-2.5, 0.0, -2.5], "species": [{"occu": 0.75, "element": "H"}, {"occu": 0.25, "element": "He"}], "label": "He:0.250, H:0.750"}, {"properties": {}, "abc": [0.5, 0.5, 0.0], "xyz": [-2.5, -2.5, -3.061616997868383e-16], "species": [{"occu": 0.75, "element": "H"}, {"occu": 0.25, "element": "He"}], "label": "He:0.250, H:0.750"}], "@class": "Structure", "@module": "pymatgen.core.structure"}