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LiMn2O4.json
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LiMn2O4.json
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{"lattice": {"a": 5.78482437411, "gamma": 90.0554686546, "c": 6.006058265160001, "b": 5.82191014076, "matrix": [[0.0, 0.0, -5.78482437411], [-3.2177951063605503, -4.851845068963517, 0.005636252355936535], [5.265825656959474, 0.0, 2.88856643250663]], "volume": 147.79630582253984, "alpha": 118.9547832379, "beta": 118.74695185720002}, "sites": [{"properties": {}, "abc": [0.11253679999999977, 0.86256705, 0.72509209], "xyz": [1.0426444987825119, -4.185041688192907, 1.4483326935934508], "species": [{"occu": 1.0, "element": "Li"}], "label": "Li"}, {"properties": {}, "abc": [0.88746367, 0.1374333700000001, 0.27490873000000016], "xyz": [1.0053890183195062, -0.666805418545539, -4.3389547307166385], "species": [{"occu": 1.0, "element": "Li"}], "label": "Li"}, {"properties": {}, "abc": [0.5000003300000001, 0.50000087, 0.5000014200000001], "xyz": [1.0240199532901528, -2.4259267555869686, -1.4453086469478866], "species": [{"occu": 1.0, "element": "Mn"}], "label": "Mn"}, {"properties": {}, "abc": [0.49999956999999995, 0.99999919, 0.50000053], "xyz": [-0.5848768805791789, -4.851841138969011, -1.4424887045964228], "species": [{"occu": 1.0, "element": "Mn"}], "label": "Mn"}, {"properties": {}, "abc": [0.49999943000000013, 0.50000064, 5.500000000435712e-07], "xyz": [-1.6088967163650316, -2.4259256396626023, -2.8895891712084], "species": [{"occu": 1.0, "element": "Mn"}], "label": "Mn"}, {"properties": {}, "abc": [0.9999999, 0.50000005, 0.9999999], "xyz": [3.6569274163068783, -2.4259227770740117, -2.8934395255177954], "species": [{"occu": 1.0, "element": "Mn"}], "label": "Mn"}, {"properties": {}, "abc": [0.2481077100000001, 0.27714125, 0.9966251699999997], "xyz": [4.35627063253695, -1.3446464072188853, 1.4451205216638368], "species": [{"occu": 1.0, "element": "O"}], "label": "O"}, {"properties": {}, "abc": [0.24851111999999997, 0.71948347, 0.9966127200000001], "xyz": [2.9328384421548614, -3.49082232612026, 1.445244055390599], "species": [{"occu": 1.0, "element": "O"}], "label": "O"}, {"properties": {}, "abc": [0.30041976000000004, 0.27634915000000004, 0.55280112], "xyz": [2.0217193783750353, -1.3408032607397593, -0.13951521748045836], "species": [{"occu": 1.0, "element": "O"}], "label": "O"}, {"properties": {}, "abc": [0.7522791400000001, 0.2765115, 0.5527183600000001], "xyz": [2.020761169608148, -1.3415909577867056, -2.7536805152870754], "species": [{"occu": 1.0, "element": "O"}], "label": "O"}, {"properties": {}, "abc": [0.2477208999999999, 0.7234884, 0.44728062], "xyz": [0.027264331628116256, -3.5102536259923043, -0.1369443522547189], "species": [{"occu": 1.0, "element": "O"}], "label": "O"}, {"properties": {}, "abc": [0.6995810700000001, 0.7236493399999999, 0.44719805], "xyz": [0.026311660459203967, -3.511034481937703, -2.751113679192087], "species": [{"occu": 1.0, "element": "O"}], "label": "O"}, {"properties": {}, "abc": [0.75148831, 0.28051616999999995, 0.0033869100000000207], "xyz": [-0.8848086815051913, -1.3610209961790314, -4.33586351808677], "species": [{"occu": 1.0, "element": "O"}], "label": "O"}, {"properties": {}, "abc": [0.75189229, 0.72285954, 0.003373830000000022], "xyz": [-2.3082478898218186, -3.5072024947022356, -4.335745095025065], "species": [{"occu": 1.0, "element": "O"}], "label": "O"}], "@class": "Structure", "@module": "pymatgen.core.structure"}