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Al3F9.json
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Al3F9.json
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{"lattice": {"a": 3.6347799134213865, "gamma": 90.00655557960835, "c": 3.635041758996902, "b": 3.635041759007576, "matrix": [[1.5088819083075578e-11, -2.9676825254474846, 2.0986866005111913], [-2.5704999400075472, 1.484362730784605, 2.098267364185927], [2.5704999399924526, 1.484362730784605, 2.0982673641859275]], "volume": 48.02826740046828, "alpha": 90.00611957317092, "beta": 90.00655557927197}, "sites": [{"properties": {}, "abc": [0.00038591729933656893, 0.00018888287228735479, 0.000231372872287694], "xyz": [0.00010922054245412322, -0.0005214680608636849, 0.0016917283784766055], "species": [{"occu": 1.0, "element": "Al"}], "label": "Al"}, {"properties": {}, "abc": [0.5001750246730291, 0.9949836749812193, 0.0041983549812194265], "xyz": [-2.5468136056128747, -0.001212113841462444, 3.146261666542871], "species": [{"occu": 1.0, "element": "F"}], "label": "F"}, {"properties": {}, "abc": [0.019873684329538843, 0.9806279853654767, 0.5002151753654767], "xyz": [-1.2349010992911083, 2.1391296122252714, 3.1489135106448876], "species": [{"occu": 1.0, "element": "F"}], "label": "F"}, {"properties": {}, "abc": [0.004347717731259637, 0.5000510057566053, 0.9948924457566057], "xyz": [1.2719898918182975, 2.2061356981200753, 3.145915552559037], "species": [{"occu": 1.0, "element": "F"}], "label": "F"}], "@class": "Structure", "@module": "pymatgen.core.structure"}