{"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0, "lattice": {"matrix": [[5.13534991, 0.0, 3.1444949148915744e-16], [3.0343648153206197e-15, 18.86898873, 1.1553923325670991e-15], [0.0, 0.0, 14.2272249]], "pbc": [true, true, true], "a": 5.13534991, "b": 18.86898873, "c": 14.2272249, "alpha": 90.0, "beta": 90.0, "gamma": 89.99999999999999, "volume": 1378.6018677469121}, "sites": [{"species": [{"element": "Zr", "occu": 1}], "abc": [0.0, 0.202365, 0.817269], "xyz": [6.140492358523571e-16, 3.81842290434645, 11.6274698667981], "label": "Zr", "properties": {"lmm": -0.0036, "soc": null, "ecc": null}}, {"species": [{"element": "Zr", "occu": 1}], "abc": [0.5, 0.297635, 0.182731], "xyz": [2.567674955000001, 5.61607146065355, 2.5997550332019004], "label": "Zr", "properties": {"lmm": -0.0036, "soc": null, "ecc": null}}, {"species": [{"element": "Zr", "occu": 1}], "abc": [0.0, 0.297635, 0.317269], "xyz": [9.031331718079526e-16, 5.61607146065355, 4.513857416798101], "label": "Zr", "properties": {"lmm": -0.0036, "soc": null, "ecc": null}}, {"species": [{"element": "Zr", "occu": 1}], "abc": [0.5, 0.202365, 0.682731], "xyz": [2.5676749550000006, 3.81842290434645, 9.7133674832019], "label": "Zr", "properties": {"lmm": -0.0036, "soc": null, "ecc": null}}, {"species": [{"element": "Zr", "occu": 1}], "abc": [0.0, 0.465017, 0.8248], "xyz": [1.4110312233259486e-15, 8.774400532258412, 11.734615097519999], "label": "Zr", "properties": {"lmm": -0.0026, "soc": null, "ecc": null}}, {"species": [{"element": "Zr", "occu": 1}], "abc": [0.5, 0.034983, 0.1752], "xyz": [2.567674955, 0.6600938327415901, 2.49260980248], "label": "Zr", "properties": {"lmm": -0.0026, "soc": null, "ecc": null}}, {"species": [{"element": "Zr", "occu": 1}], "abc": [0.0, 0.034983, 0.3248], "xyz": [1.0615118433436124e-16, 0.6600938327415901, 4.621002647519999], "label": "Zr", "properties": {"lmm": -0.0026, "soc": null, "ecc": null}}, {"species": [{"element": "Zr", "occu": 1}], "abc": [0.5, 0.465017, 0.6752], "xyz": [2.5676749550000015, 8.774400532258412, 9.60622225248], "label": "Zr", "properties": {"lmm": -0.0026, "soc": null, "ecc": null}}, {"species": [{"element": "Zr", "occu": 1}], "abc": [0.0, 0.123785, 0.582368], "xyz": [3.7560884866446294e-16, 2.3356977699430503, 8.2854805105632], "label": "Zr", "properties": {"lmm": -0.0051, "soc": null, "ecc": null}}, {"species": [{"element": "Zr", "occu": 1}], "abc": [0.5, 0.376215, 0.417632], "xyz": [2.5676749550000015, 7.098796595056951, 5.9417443894368], "label": "Zr", "properties": {"lmm": -0.0051, "soc": null, "ecc": null}}, {"species": [{"element": "Zr", "occu": 1}], "abc": [0.0, 0.376215, 0.082368], "xyz": [1.141573558995847e-15, 7.098796595056951, 1.1718680605632004], "label": "Zr", "properties": {"lmm": -0.0051, "soc": null, "ecc": null}}, {"species": [{"element": "Zr", "occu": 1}], "abc": [0.5, 0.123785, 0.917632], "xyz": [2.5676749550000006, 2.3356977699430503, 13.0553568394368], "label": "Zr", "properties": {"lmm": -0.0051, "soc": null, "ecc": null}}, {"species": [{"element": "Zr", "occu": 1}], "abc": [0.5, 0.702365, 0.817269], "xyz": [2.5676749550000024, 13.252917269346451, 11.627469866798101], "label": "Zr", "properties": {"lmm": -0.0036, "soc": null, "ecc": null}}, {"species": [{"element": "Zr", "occu": 1}], "abc": [0.0, 0.797635, 0.182731], "xyz": [2.4203155794682623e-15, 15.050565825653551, 2.599755033201901], "label": "Zr", "properties": {"lmm": -0.0036, "soc": null, "ecc": null}}, {"species": [{"element": "Zr", "occu": 1}], "abc": [0.5, 0.797635, 0.317269], "xyz": [2.5676749550000024, 15.050565825653551, 4.513857416798102], "label": "Zr", "properties": {"lmm": -0.0036, "soc": null, "ecc": null}}, {"species": [{"element": "Zr", "occu": 1}], "abc": [0.0, 0.702365, 0.682731], "xyz": [2.1312316435126673e-15, 13.252917269346451, 9.7133674832019], "label": "Zr", "properties": {"lmm": -0.0036, "soc": null, "ecc": null}}, {"species": [{"element": "Zr", "occu": 1}], "abc": [0.5, 0.965017, 0.8248], "xyz": [2.5676749550000033, 18.20889489725841, 11.73461509752], "label": "Zr", "properties": {"lmm": -0.0026, "soc": null, "ecc": null}}, {"species": [{"element": "Zr", "occu": 1}], "abc": [0.0, 0.534983, 0.1752], "xyz": [1.6233335919946711e-15, 10.09458819774159, 2.4926098024800005], "label": "Zr", "properties": {"lmm": -0.0026, "soc": null, "ecc": null}}, {"species": [{"element": "Zr", "occu": 1}], "abc": [0.5, 0.534983, 0.3248], "xyz": [2.567674955000002, 10.09458819774159, 4.62100264752], "label": "Zr", "properties": {"lmm": -0.0026, "soc": null, "ecc": null}}, {"species": [{"element": "Zr", "occu": 1}], "abc": [0.0, 0.965017, 0.6752], "xyz": [2.9282136309862584e-15, 18.20889489725841, 9.60622225248], "label": "Zr", "properties": {"lmm": -0.0026, "soc": null, "ecc": null}}, {"species": [{"element": "Zr", "occu": 1}], "abc": [0.5, 0.623785, 0.582368], "xyz": [2.567674955000002, 11.770192134943052, 8.2854805105632], "label": "Zr", "properties": {"lmm": -0.0051, "soc": null, "ecc": null}}, {"species": [{"element": "Zr", "occu": 1}], "abc": [0.0, 0.876215, 0.417632], "xyz": [2.658755966656157e-15, 16.533290960056952, 5.941744389436801], "label": "Zr", "properties": {"lmm": -0.0051, "soc": null, "ecc": null}}, {"species": [{"element": "Zr", "occu": 1}], "abc": [0.5, 0.876215, 0.082368], "xyz": [2.567674955000003, 16.533290960056952, 1.171868060563201], "label": "Zr", "properties": {"lmm": -0.0051, "soc": null, "ecc": null}}, {"species": [{"element": "Zr", "occu": 1}], "abc": [0.0, 0.623785, 0.917632], "xyz": [1.8927912563247727e-15, 11.770192134943052, 13.0553568394368], "label": "Zr", "properties": {"lmm": -0.0051, "soc": null, "ecc": null}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.75, 0.25, 0.5], "xyz": [3.851512432500001, 4.7172471825, 7.113612450000001], "label": "Fe", "properties": {"lmm": 0.8179, "soc": null, "ecc": null}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.25, 0.25, 0.5], "xyz": [1.2838374775000008, 4.7172471825, 7.11361245], "label": "Fe", "properties": {"lmm": 0.8179, "soc": null, "ecc": null}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.75, 0.25, 0.0], "xyz": [3.851512432500001, 4.7172471825, 5.246852017586428e-16], "label": "Fe", "properties": {"lmm": 0.8179, "soc": null, "ecc": null}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.25, 0.25, 0.0], "xyz": [1.2838374775000008, 4.7172471825, 3.6746045601406415e-16], "label": "Fe", "properties": {"lmm": 0.8179, "soc": null, "ecc": null}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.75, 0.337595, 0.75], "xyz": [3.851512432500001, 6.37007625030435, 10.670418675], "label": "Fe", "properties": {"lmm": 0.4999, "soc": null, "ecc": null}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.25, 0.162405, 0.25], "xyz": [1.2838374775000005, 3.06441811469565, 3.5568062250000003], "label": "Fe", "properties": {"lmm": 0.5, "soc": null, "ecc": null}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.75, 0.162405, 0.25], "xyz": [3.8515124325000007, 3.06441811469565, 3.5568062250000003], "label": "Fe", "properties": {"lmm": 0.5, "soc": null, "ecc": null}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.25, 0.337595, 0.75], "xyz": [1.2838374775000012, 6.37007625030435, 10.670418675], "label": "Fe", "properties": {"lmm": 0.4999, "soc": null, "ecc": null}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.040267, 0.876893], "xyz": [1.221847680185154e-16, 0.75979756919091, 12.4757539242357], "label": "Fe", "properties": {"lmm": -0.0875, "soc": null, "ecc": null}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.5, 0.459733, 0.123107], "xyz": [2.5676749550000015, 8.67469679580909, 1.7514709757643006], "label": "Fe", "properties": {"lmm": -0.0875, "soc": null, "ecc": null}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.459733, 0.376893], "xyz": [1.3949976396417945e-15, 8.67469679580909, 5.3621414742357], "label": "Fe", "properties": {"lmm": -0.0875, "soc": null, "ecc": null}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.5, 0.040267, 0.623107], "xyz": [2.567674955, 0.75979756919091, 8.865083425764299], "label": "Fe", "properties": {"lmm": -0.0875, "soc": null, "ecc": null}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.25, 0.75, 0.5], "xyz": [1.2838374775000023, 14.151741547500002, 7.113612450000001], "label": "Fe", "properties": {"lmm": 0.8179, "soc": null, "ecc": null}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.75, 0.75, 0.5], "xyz": [3.8515124325000025, 14.151741547500002, 7.113612450000001], "label": "Fe", "properties": {"lmm": 0.8179, "soc": null, "ecc": null}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.25, 0.75, 0.0], "xyz": [1.2838374775000023, 14.151741547500002, 9.451566222976138e-16], "label": "Fe", "properties": {"lmm": 0.8179, "soc": null, "ecc": null}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.75, 0.75, 0.0], "xyz": [3.8515124325000025, 14.151741547500002, 1.1023813680421925e-15], "label": "Fe", "properties": {"lmm": 0.8179, "soc": null, "ecc": null}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.25, 0.837595, 0.75], "xyz": [1.2838374775000025, 15.804570615304351, 10.670418675], "label": "Fe", "properties": {"lmm": 0.5, "soc": null, "ecc": null}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.75, 0.662405, 0.25], "xyz": [3.8515124325000025, 12.498912479695651, 3.5568062250000008], "label": "Fe", "properties": {"lmm": 0.4999, "soc": null, "ecc": null}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.25, 0.662405, 0.25], "xyz": [1.283837477500002, 12.498912479695651, 3.5568062250000008], "label": "Fe", "properties": {"lmm": 0.4999, "soc": null, "ecc": null}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.75, 0.837595, 0.75], "xyz": [3.851512432500003, 15.804570615304351, 10.670418675], "label": "Fe", "properties": {"lmm": 0.5, "soc": null, "ecc": null}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.5, 0.540267, 0.876893], "xyz": [2.567674955000002, 10.194291934190911, 12.4757539242357], "label": "Fe", "properties": {"lmm": -0.0875, "soc": null, "ecc": null}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.959733, 0.123107], "xyz": [2.9121800473021043e-15, 18.10919116080909, 1.751470975764301], "label": "Fe", "properties": {"lmm": -0.0875, "soc": null, "ecc": null}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.5, 0.959733, 0.376893], "xyz": [2.5676749550000033, 18.10919116080909, 5.362141474235701], "label": "Fe", "properties": {"lmm": -0.0875, "soc": null, "ecc": null}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.540267, 0.623107], "xyz": [1.6393671756788254e-15, 10.194291934190911, 8.8650834257643], "label": "Fe", "properties": {"lmm": -0.0875, "soc": null, "ecc": null}}, {"species": [{"element": "Si", "occu": 1}], "abc": [0.244185, 0.0, 0.5], "xyz": [1.2539754177733502, 0.0, 7.11361245], "label": "Si", "properties": {"lmm": 0.0019, "soc": null, "ecc": null}}, {"species": [{"element": "Si", "occu": 1}], "abc": [0.744185, 0.0, 0.0], "xyz": [3.8216503727733504, 0.0, 2.3400859482385864e-16], "label": "Si", "properties": {"lmm": 0.0019, "soc": null, "ecc": null}}, {"species": [{"element": "Si", "occu": 1}], "abc": [0.755815, 0.0, 0.5], "xyz": [3.88137449222665, 0.0, 7.11361245], "label": "Si", "properties": {"lmm": 0.0019, "soc": null, "ecc": null}}, {"species": [{"element": "Si", "occu": 1}], "abc": [0.255815, 0.0, 0.0], "xyz": [1.3136995372266502, 0.0, 8.044089666529881e-17], "label": "Si", "properties": {"lmm": 0.0019, "soc": null, "ecc": null}}, {"species": [{"element": "Si", "occu": 1}], "abc": [0.75, 0.08344, 0.75], "xyz": [3.8515124325000007, 1.5744284196312002, 10.670418675], "label": "Si", "properties": {"lmm": 0.0006, "soc": null, "ecc": null}}, {"species": [{"element": "Si", "occu": 1}], "abc": [0.25, 0.41656, 0.25], "xyz": [1.2838374775000014, 7.860065945368801, 3.5568062250000003], "label": "Si", "properties": {"lmm": 0.0006, "soc": null, "ecc": null}}, {"species": [{"element": "Si", "occu": 1}], "abc": [0.75, 0.41656, 0.25], "xyz": [3.8515124325000016, 7.860065945368801, 3.5568062250000008], "label": "Si", "properties": {"lmm": 0.0006, "soc": null, "ecc": null}}, {"species": [{"element": "Si", "occu": 1}], "abc": [0.25, 0.08344, 0.75], "xyz": [1.2838374775000003, 1.5744284196312002, 10.670418675], "label": "Si", "properties": {"lmm": 0.0006, "soc": null, "ecc": null}}, {"species": [{"element": "Si", "occu": 1}], "abc": [0.0, 0.331324, 0.897218], "xyz": [1.005357888071289e-15, 6.251748821978521, 12.7649222703282], "label": "Si", "properties": {"lmm": -0.0125, "soc": null, "ecc": null}}, {"species": [{"element": "Si", "occu": 1}], "abc": [0.5, 0.168676, 0.102782], "xyz": [2.5676749550000006, 3.18274554302148, 1.4623026296718002], "label": "Si", "properties": {"lmm": -0.0125, "soc": null, "ecc": null}}, {"species": [{"element": "Si", "occu": 1}], "abc": [0.0, 0.168676, 0.397218], "xyz": [5.118245195890208e-16, 3.18274554302148, 5.6513098203282], "label": "Si", "properties": {"lmm": -0.0125, "soc": null, "ecc": null}}, {"species": [{"element": "Si", "occu": 1}], "abc": [0.5, 0.331324, 0.602782], "xyz": [2.567674955000001, 6.251748821978521, 8.5759150796718], "label": "Si", "properties": {"lmm": -0.0125, "soc": null, "ecc": null}}, {"species": [{"element": "Si", "occu": 1}], "abc": [0.0, 0.410902, 0.644359], "xyz": [1.2468265713448732e-15, 7.753305207134461, 9.1674404093391], "label": "Si", "properties": {"lmm": -0.009, "soc": null, "ecc": null}}, {"species": [{"element": "Si", "occu": 1}], "abc": [0.5, 0.089098, 0.355641], "xyz": [2.5676749550000006, 1.68118915786554, 5.0597844906609], "label": "Si", "properties": {"lmm": -0.009, "soc": null, "ecc": null}}, {"species": [{"element": "Si", "occu": 1}], "abc": [0.0, 0.089098, 0.144359], "xyz": [2.703558363154366e-16, 1.68118915786554, 2.0538279593391], "label": "Si", "properties": {"lmm": -0.009, "soc": null, "ecc": null}}, {"species": [{"element": "Si", "occu": 1}], "abc": [0.5, 0.410902, 0.855641], "xyz": [2.5676749550000015, 7.753305207134461, 12.1733969406609], "label": "Si", "properties": {"lmm": -0.009, "soc": null, "ecc": null}}, {"species": [{"element": "Si", "occu": 1}], "abc": [0.0, 0.26496, 0.643361], "xyz": [8.039853014673513e-16, 4.9995272539007996, 9.153241638888899], "label": "Si", "properties": {"lmm": -0.0168, "soc": null, "ecc": null}}, {"species": [{"element": "Si", "occu": 1}], "abc": [0.5, 0.23504, 0.356639], "xyz": [2.567674955000001, 4.4349671110992, 5.0739832611111], "label": "Si", "properties": {"lmm": -0.0168, "soc": null, "ecc": null}}, {"species": [{"element": "Si", "occu": 1}], "abc": [0.0, 0.23504, 0.143361], "xyz": [7.131971061929584e-16, 4.4349671110992, 2.0396291888889], "label": "Si", "properties": {"lmm": -0.0168, "soc": null, "ecc": null}}, {"species": [{"element": "Si", "occu": 1}], "abc": [0.5, 0.26496, 0.856639], "xyz": [2.567674955000001, 4.9995272539007996, 12.1875957111111], "label": "Si", "properties": {"lmm": -0.0168, "soc": null, "ecc": null}}, {"species": [{"element": "Si", "occu": 1}], "abc": [0.0, 0.359659, 0.492878], "xyz": [1.0913366151133989e-15, 6.786401617643071, 7.0122861542622], "label": "Si", "properties": {"lmm": -0.0141, "soc": null, "ecc": null}}, {"species": [{"element": "Si", "occu": 1}], "abc": [0.5, 0.140341, 0.507122], "xyz": [2.5676749550000006, 2.6480927473569302, 7.2149387457378], "label": "Si", "properties": {"lmm": -0.0141, "soc": null, "ecc": null}}, {"species": [{"element": "Si", "occu": 1}], "abc": [0.0, 0.140341, 0.992878], "xyz": [4.2584579254691107e-16, 2.6480927473569302, 14.1258986042622], "label": "Si", "properties": {"lmm": -0.0141, "soc": null, "ecc": null}}, {"species": [{"element": "Si", "occu": 1}], "abc": [0.5, 0.359659, 0.007122], "xyz": [2.567674955000001, 6.786401617643071, 0.10132629573780057], "label": "Si", "properties": {"lmm": -0.0141, "soc": null, "ecc": null}}, {"species": [{"element": "Si", "occu": 1}], "abc": [0.744185, 0.5, 0.5], "xyz": [3.8216503727733517, 9.434494365, 7.113612450000001], "label": "Si", "properties": {"lmm": 0.0019, "soc": null, "ecc": null}}, {"species": [{"element": "Si", "occu": 1}], "abc": [0.244185, 0.5, 0.0], "xyz": [1.2539754177733518, 9.434494365, 6.544800153628295e-16], "label": "Si", "properties": {"lmm": 0.0019, "soc": null, "ecc": null}}, {"species": [{"element": "Si", "occu": 1}], "abc": [0.255815, 0.5, 0.5], "xyz": [1.3136995372266518, 9.434494365, 7.113612450000001], "label": "Si", "properties": {"lmm": 0.0019, "soc": null, "ecc": null}}, {"species": [{"element": "Si", "occu": 1}], "abc": [0.755815, 0.5, 0.0], "xyz": [3.8813744922266515, 9.434494365, 8.153618086934271e-16], "label": "Si", "properties": {"lmm": 0.0019, "soc": null, "ecc": null}}, {"species": [{"element": "Si", "occu": 1}], "abc": [0.25, 0.58344, 0.75], "xyz": [1.2838374775000019, 11.008922784631201, 10.670418675], "label": "Si", "properties": {"lmm": 0.0006, "soc": null, "ecc": null}}, {"species": [{"element": "Si", "occu": 1}], "abc": [0.75, 0.91656, 0.25], "xyz": [3.851512432500003, 17.2945603103688, 3.556806225000001], "label": "Si", "properties": {"lmm": 0.0006, "soc": null, "ecc": null}}, {"species": [{"element": "Si", "occu": 1}], "abc": [0.25, 0.91656, 0.25], "xyz": [1.283837477500003, 17.2945603103688, 3.556806225000001], "label": "Si", "properties": {"lmm": 0.0006, "soc": null, "ecc": null}}, {"species": [{"element": "Si", "occu": 1}], "abc": [0.75, 0.58344, 0.75], "xyz": [3.851512432500002, 11.008922784631201, 10.670418675], "label": "Si", "properties": {"lmm": 0.0006, "soc": null, "ecc": null}}, {"species": [{"element": "Si", "occu": 1}], "abc": [0.5, 0.831324, 0.897218], "xyz": [2.567674955000003, 15.68624318697852, 12.7649222703282], "label": "Si", "properties": {"lmm": -0.0125, "soc": null, "ecc": null}}, {"species": [{"element": "Si", "occu": 1}], "abc": [0.0, 0.668676, 0.102782], "xyz": [2.0290069272493307e-15, 12.617239908021482, 1.4623026296718007], "label": "Si", "properties": {"lmm": -0.0125, "soc": null, "ecc": null}}, {"species": [{"element": "Si", "occu": 1}], "abc": [0.5, 0.668676, 0.397218], "xyz": [2.5676749550000024, 12.617239908021482, 5.651309820328201], "label": "Si", "properties": {"lmm": -0.0125, "soc": null, "ecc": null}}, {"species": [{"element": "Si", "occu": 1}], "abc": [0.0, 0.831324, 0.602782], "xyz": [2.5225402957315988e-15, 15.68624318697852, 8.575915079671802], "label": "Si", "properties": {"lmm": -0.0125, "soc": null, "ecc": null}}, {"species": [{"element": "Si", "occu": 1}], "abc": [0.5, 0.910902, 0.644359], "xyz": [2.567674955000003, 17.187799572134463, 9.1674404093391], "label": "Si", "properties": {"lmm": -0.009, "soc": null, "ecc": null}}, {"species": [{"element": "Si", "occu": 1}], "abc": [0.0, 0.589098, 0.355641], "xyz": [1.7875382439757463e-15, 11.115683522865542, 5.0597844906609], "label": "Si", "properties": {"lmm": -0.009, "soc": null, "ecc": null}}, {"species": [{"element": "Si", "occu": 1}], "abc": [0.5, 0.589098, 0.144359], "xyz": [2.567674955000002, 11.115683522865542, 2.0538279593391007], "label": "Si", "properties": {"lmm": -0.009, "soc": null, "ecc": null}}, {"species": [{"element": "Si", "occu": 1}], "abc": [0.0, 0.910902, 0.855641], "xyz": [2.7640089790051832e-15, 17.187799572134463, 12.1733969406609], "label": "Si", "properties": {"lmm": -0.009, "soc": null, "ecc": null}}, {"species": [{"element": "Si", "occu": 1}], "abc": [0.5, 0.76496, 0.643361], "xyz": [2.5676749550000024, 14.4340216189008, 9.1532416388889], "label": "Si", "properties": {"lmm": -0.0168, "soc": null, "ecc": null}}, {"species": [{"element": "Si", "occu": 1}], "abc": [0.0, 0.73504, 0.356639], "xyz": [2.2303795138532683e-15, 13.869461476099202, 5.073983261111101], "label": "Si", "properties": {"lmm": -0.0168, "soc": null, "ecc": null}}, {"species": [{"element": "Si", "occu": 1}], "abc": [0.5, 0.73504, 0.143361], "xyz": [2.5676749550000024, 13.869461476099202, 2.0396291888889007], "label": "Si", "properties": {"lmm": -0.0168, "soc": null, "ecc": null}}, {"species": [{"element": "Si", "occu": 1}], "abc": [0.0, 0.76496, 0.856639], "xyz": [2.3211677091276613e-15, 14.4340216189008, 12.1875957111111], "label": "Si", "properties": {"lmm": -0.0168, "soc": null, "ecc": null}}, {"species": [{"element": "Si", "occu": 1}], "abc": [0.5, 0.859659, 0.492878], "xyz": [2.567674955000003, 16.22089598264307, 7.012286154262201], "label": "Si", "properties": {"lmm": -0.0141, "soc": null, "ecc": null}}, {"species": [{"element": "Si", "occu": 1}], "abc": [0.0, 0.640341, 0.507122], "xyz": [1.943028200207221e-15, 12.082587112356933, 7.2149387457378], "label": "Si", "properties": {"lmm": -0.0141, "soc": null, "ecc": null}}, {"species": [{"element": "Si", "occu": 1}], "abc": [0.5, 0.640341, 0.992878], "xyz": [2.567674955000002, 12.082587112356933, 14.1258986042622], "label": "Si", "properties": {"lmm": -0.0141, "soc": null, "ecc": null}}, {"species": [{"element": "Si", "occu": 1}], "abc": [0.0, 0.859659, 0.007122], "xyz": [2.6085190227737085e-15, 16.22089598264307, 0.10132629573780098], "label": "Si", "properties": {"lmm": -0.0141, "soc": null, "ecc": null}}]}