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Al3F9_distorted.json
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Al3F9_distorted.json
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{"lattice": {"a": 5.147071070964304, "gamma": 60.01221299228143, "c": 7.00856138033, "b": 5.14707107593, "matrix": [[-2.574010590035221, -4.45719355118335, 0.015353801930641325], [2.5740105999647787, -4.45719355118335, 0.01535380193064164], [0.0, 0.0, 7.00856138033]], "volume": 160.8165350404688, "alpha": 89.82908544649999, "beta": 89.82908544633511}, "sites": [{"properties": {}, "abc": [0.66657273, 0.6666957499999999, 0.66224288], "xyz": [0.0003166614027798609, -5.9426356710520265, 4.661840613328802], "species": [{"occu": 1.0, "element": "Al"}], "label": "Al"}, {"properties": {}, "abc": [0.99995781, 4.2189999999999994e-05, 1.0], "xyz": [-2.5737933950212146, -4.45719355118335, 7.023915182260641], "species": [{"occu": 1.0, "element": "Al"}], "label": "Al"}, {"properties": {}, "abc": [0.33330424999999986, 0.33342726999999994, 0.33775712], "xyz": [0.0003166580935716201, -2.971751431314672, 2.377428370862481], "species": [{"occu": 1.0, "element": "Al"}], "label": "Al"}, {"properties": {}, "abc": [0.07162849000000016, 0.25777164999999985, 0.17482750000000002], "xyz": [0.47913446766217827, -1.4682001797668927, 1.2303468092251288], "species": [{"occu": 1.0, "element": "F"}], "label": "F"}, {"properties": {}, "abc": [0.99981122, 0.61244561, 0.5000877], "xyz": [-0.9970831762741392, -7.18614074552731, 3.529649613027199], "species": [{"occu": 1.0, "element": "F"}], "label": "F"}, {"properties": {}, "abc": [0.6699106899999999, 0.07176384999999996, 0.17419217], "xyz": [-1.5396362998435196, -3.305786976764877, 1.2322240394020374], "species": [{"occu": 1.0, "element": "F"}], "label": "F"}, {"properties": {}, "abc": [0.2579236399999999, 0.66968131, 0.17444366000000003], "xyz": [1.0598686097578671, -4.134514801185753, 1.2368413611916], "species": [{"occu": 1.0, "element": "F"}], "label": "F"}, {"properties": {}, "abc": [0.74222835, 0.92837151, 0.8251725], "xyz": [0.4791344743209389, -7.446186922599807, 5.8089221749661535], "species": [{"occu": 1.0, "element": "F"}], "label": "F"}, {"properties": {}, "abc": [0.6126536, 0.3873463999999999, 0.5], "xyz": [-0.5799431149650054, -4.45719355118335, 3.5196344920956415], "species": [{"occu": 1.0, "element": "F"}], "label": "F"}, {"properties": {}, "abc": [0.38755439, 0.000188779999999944, 0.49991230000000003], "xyz": [-0.9970831823535791, -1.728246356839389, 3.509619371164084], "species": [{"occu": 1.0, "element": "F"}], "label": "F"}, {"properties": {}, "abc": [0.92823615, 0.33008930999999997, 0.8258078300000001], "xyz": [-1.5396362972784625, -5.608600125601822, 5.807044944789246], "species": [{"occu": 1.0, "element": "F"}], "label": "F"}, {"properties": {}, "abc": [0.33031869, 0.7420763599999999, 0.8255563400000001], "xyz": [1.0598686104767174, -4.779872301180945, 5.802427622999684], "species": [{"occu": 1.0, "element": "F"}], "label": "F"}], "@class": "Structure", "@module": "pymatgen.core.structure"}