{"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0, "lattice": {"matrix": [[12.57354309, 0.0, 7.69907464955491e-16], [2.0219799429714164e-15, 12.57354309, 7.69907464955491e-16], [0.0, 0.0, 4.95091828]], "pbc": [true, true, true], "a": 12.57354309, "b": 12.57354309, "c": 4.95091828, "alpha": 90.0, "beta": 90.0, "gamma": 89.99999999999999, "volume": 782.7104044339429}, "sites": [{"species": [{"element": "Ti", "occu": 1}], "abc": [0.5, 0.310053, 0.0], "xyz": [6.286771545000001, 3.89846475568377, 6.236658517095904e-16], "label": "Ti", "properties": {"lmm": 0.0018, "soc": null, "ecc": null}}, {"species": [{"element": "Ti", "occu": 1}], "abc": [0.36558, 0.63442, 0.5], "xyz": [4.596635882842201, 7.976907207157799, 2.475459140000001], "label": "Ti", "properties": {"lmm": 0.0016, "soc": null, "ecc": null}}, {"species": [{"element": "Ti", "occu": 1}], "abc": [0.810053, 0.0, 0.5], "xyz": [10.18523630068377, 0.0, 2.4754591400000003], "label": "Ti", "properties": {"lmm": 0.0016, "soc": null, "ecc": null}}, {"species": [{"element": "Ti", "occu": 1}], "abc": [0.5, 0.689947, 0.0], "xyz": [6.2867715450000015, 8.675078334316229, 9.161490782013917e-16], "label": "Ti", "properties": {"lmm": 0.0018, "soc": null, "ecc": null}}, {"species": [{"element": "Ti", "occu": 1}], "abc": [0.13442, 0.86558, 0.0], "xyz": [1.6901356621578019, 10.883407427842199, 7.69907464955491e-16], "label": "Ti", "properties": {"lmm": 0.0017, "soc": null, "ecc": null}}, {"species": [{"element": "Ti", "occu": 1}], "abc": [0.13442, 0.13442, 0.0], "xyz": [1.6901356621578003, 1.6901356621578, 2.0698192287863421e-16], "label": "Ti", "properties": {"lmm": 0.0017, "soc": null, "ecc": null}}, {"species": [{"element": "Ti", "occu": 1}], "abc": [0.36558, 0.36558, 0.5], "xyz": [4.596635882842201, 4.5966358828422, 2.4754591400000003], "label": "Ti", "properties": {"lmm": 0.0016, "soc": null, "ecc": null}}, {"species": [{"element": "Ti", "occu": 1}], "abc": [0.189947, 0.0, 0.5], "xyz": [2.3883067893162298, 0.0, 2.47545914], "label": "Ti", "properties": {"lmm": 0.0016, "soc": null, "ecc": null}}, {"species": [{"element": "Ti", "occu": 1}], "abc": [0.0, 0.810053, 0.5], "xyz": [1.6379109187438249e-15, 10.18523630068377, 2.4754591400000003], "label": "Ti", "properties": {"lmm": 0.0016, "soc": null, "ecc": null}}, {"species": [{"element": "Ti", "occu": 1}], "abc": [0.86558, 0.13442, 0.0], "xyz": [10.883407427842199, 1.6901356621578, 7.69907464955491e-16], "label": "Ti", "properties": {"lmm": 0.0017, "soc": null, "ecc": null}}, {"species": [{"element": "Ti", "occu": 1}], "abc": [0.310053, 0.5, 0.0], "xyz": [3.898464755683771, 6.286771545, 6.236658517095904e-16], "label": "Ti", "properties": {"lmm": 0.0018, "soc": null, "ecc": null}}, {"species": [{"element": "Ti", "occu": 1}], "abc": [0.0, 0.189947, 0.5], "xyz": [3.8406902422759165e-16, 2.3883067893162298, 2.47545914], "label": "Ti", "properties": {"lmm": 0.0016, "soc": null, "ecc": null}}, {"species": [{"element": "Ti", "occu": 1}], "abc": [0.63442, 0.36558, 0.5], "xyz": [7.9769072071578, 4.5966358828422, 2.475459140000001], "label": "Ti", "properties": {"lmm": 0.0016, "soc": null, "ecc": null}}, {"species": [{"element": "Ti", "occu": 1}], "abc": [0.63442, 0.63442, 0.5], "xyz": [7.9769072071578, 7.976907207157799, 2.475459140000001], "label": "Ti", "properties": {"lmm": 0.0016, "soc": null, "ecc": null}}, {"species": [{"element": "Ti", "occu": 1}], "abc": [0.86558, 0.86558, 0.0], "xyz": [10.8834074278422, 10.883407427842199, 1.3328330070323477e-15], "label": "Ti", "properties": {"lmm": 0.0017, "soc": null, "ecc": null}}, {"species": [{"element": "Ti", "occu": 1}], "abc": [0.689947, 0.5, 0.0], "xyz": [8.67507833431623, 6.286771545, 9.161490782013917e-16], "label": "Ti", "properties": {"lmm": 0.0018, "soc": null, "ecc": null}}, {"species": [{"element": "Si", "occu": 1}], "abc": [0.0, 0.0, 0.248957], "xyz": [0.0, 0.0, 1.23256576223396], "label": "Si", "properties": {"lmm": -0.0002, "soc": null, "ecc": null}}, {"species": [{"element": "Si", "occu": 1}], "abc": [0.5, 0.787979, 0.5], "xyz": [6.2867715450000015, 9.90768791051511, 2.475459140000001], "label": "Si", "properties": {"lmm": -0.0001, "soc": null, "ecc": null}}, {"species": [{"element": "Si", "occu": 1}], "abc": [0.295726, 0.704274, 0.0], "xyz": [3.718323603833341, 8.855219486166659, 7.69907464955491e-16], "label": "Si", "properties": {"lmm": -0.0001, "soc": null, "ecc": null}}, {"species": [{"element": "Si", "occu": 1}], "abc": [0.295726, 0.295726, 0.0], "xyz": [3.71832360383334, 3.7183236038333396, 4.553633099628551e-16], "label": "Si", "properties": {"lmm": -0.0001, "soc": null, "ecc": null}}, {"species": [{"element": "Si", "occu": 1}], "abc": [0.204274, 0.204274, 0.5], "xyz": [2.5684479411666605, 2.56844794116666, 2.4754591400000003], "label": "Si", "properties": {"lmm": -0.0001, "soc": null, "ecc": null}}, {"species": [{"element": "Si", "occu": 1}], "abc": [0.204274, 0.795726, 0.5], "xyz": [2.568447941166662, 10.00509514883334, 2.475459140000001], "label": "Si", "properties": {"lmm": -0.0001, "soc": null, "ecc": null}}, {"species": [{"element": "Si", "occu": 1}], "abc": [0.712021, 0.0, 0.0], "xyz": [8.95262672448489, 0.0, 5.481902831050737e-16], "label": "Si", "properties": {"lmm": -0.0001, "soc": null, "ecc": null}}, {"species": [{"element": "Si", "occu": 1}], "abc": [0.287979, 0.0, 0.0], "xyz": [3.6209163655151095, 0.0, 2.2171718185041732e-16], "label": "Si", "properties": {"lmm": -0.0001, "soc": null, "ecc": null}}, {"species": [{"element": "Si", "occu": 1}], "abc": [0.0, 0.0, 0.751043], "xyz": [0.0, 0.0, 3.7183525177660397], "label": "Si", "properties": {"lmm": -0.0002, "soc": null, "ecc": null}}, {"species": [{"element": "Si", "occu": 1}], "abc": [0.5, 0.09329, 0.0], "xyz": [6.286771545, 1.1729858348661, 4.567783998834432e-16], "label": "Si", "properties": {"lmm": -0.0, "soc": null, "ecc": null}}, {"species": [{"element": "Si", "occu": 1}], "abc": [0.40671, 0.0, 0.5], "xyz": [5.1137857101339, 0.0, 2.4754591400000003], "label": "Si", "properties": {"lmm": -0.0, "soc": null, "ecc": null}}, {"species": [{"element": "Si", "occu": 1}], "abc": [0.59329, 0.0, 0.5], "xyz": [7.459757379866099, 0.0, 2.4754591400000003], "label": "Si", "properties": {"lmm": -0.0, "soc": null, "ecc": null}}, {"species": [{"element": "Si", "occu": 1}], "abc": [0.5, 0.90671, 0.0], "xyz": [6.2867715450000015, 11.400557255133899, 1.0830365300275387e-15], "label": "Si", "properties": {"lmm": -0.0, "soc": null, "ecc": null}}, {"species": [{"element": "Si", "occu": 1}], "abc": [0.5, 0.212021, 0.5], "xyz": [6.286771545, 2.6658551794848897, 2.4754591400000003], "label": "Si", "properties": {"lmm": -0.0001, "soc": null, "ecc": null}}, {"species": [{"element": "Si", "occu": 1}], "abc": [0.5, 0.5, 0.748957], "xyz": [6.286771545000001, 6.286771545, 3.7080249022339604], "label": "Si", "properties": {"lmm": -0.0002, "soc": null, "ecc": null}}, {"species": [{"element": "Si", "occu": 1}], "abc": [0.0, 0.287979, 0.0], "xyz": [5.822877619969654e-16, 3.6209163655151095, 2.2171718185041732e-16], "label": "Si", "properties": {"lmm": -0.0001, "soc": null, "ecc": null}}, {"species": [{"element": "Si", "occu": 1}], "abc": [0.795726, 0.204274, 0.5], "xyz": [10.00509514883334, 2.56844794116666, 2.475459140000001], "label": "Si", "properties": {"lmm": -0.0001, "soc": null, "ecc": null}}, {"species": [{"element": "Si", "occu": 1}], "abc": [0.795726, 0.795726, 0.5], "xyz": [10.005095148833341, 10.00509514883334, 2.4754591400000012], "label": "Si", "properties": {"lmm": -0.0001, "soc": null, "ecc": null}}, {"species": [{"element": "Si", "occu": 1}], "abc": [0.704274, 0.704274, 0.0], "xyz": [8.85521948616666, 8.855219486166659, 1.0844516199481269e-15], "label": "Si", "properties": {"lmm": -0.0001, "soc": null, "ecc": null}}, {"species": [{"element": "Si", "occu": 1}], "abc": [0.704274, 0.295726, 0.0], "xyz": [8.855219486166659, 3.7183236038333396, 7.69907464955491e-16], "label": "Si", "properties": {"lmm": -0.0001, "soc": null, "ecc": null}}, {"species": [{"element": "Si", "occu": 1}], "abc": [0.212021, 0.5, 0.5], "xyz": [2.6658551794848906, 6.286771545, 2.4754591400000003], "label": "Si", "properties": {"lmm": -0.0001, "soc": null, "ecc": null}}, {"species": [{"element": "Si", "occu": 1}], "abc": [0.787979, 0.5, 0.5], "xyz": [9.907687910515111, 6.286771545, 2.475459140000001], "label": "Si", "properties": {"lmm": -0.0001, "soc": null, "ecc": null}}, {"species": [{"element": "Si", "occu": 1}], "abc": [0.5, 0.5, 0.251043], "xyz": [6.286771545000001, 6.286771545, 1.2428933777660407], "label": "Si", "properties": {"lmm": -0.0002, "soc": null, "ecc": null}}, {"species": [{"element": "Si", "occu": 1}], "abc": [0.0, 0.59329, 0.5], "xyz": [1.1996204803655117e-15, 7.459757379866099, 2.4754591400000003], "label": "Si", "properties": {"lmm": -0.0, "soc": null, "ecc": null}}, {"species": [{"element": "Si", "occu": 1}], "abc": [0.90671, 0.5, 0.0], "xyz": [11.4005572551339, 6.286771545, 1.0830365300275387e-15], "label": "Si", "properties": {"lmm": -0.0, "soc": null, "ecc": null}}, {"species": [{"element": "Si", "occu": 1}], "abc": [0.09329, 0.5, 0.0], "xyz": [1.172985834866101, 6.286771545, 4.567783998834432e-16], "label": "Si", "properties": {"lmm": -0.0, "soc": null, "ecc": null}}, {"species": [{"element": "Si", "occu": 1}], "abc": [0.0, 0.40671, 0.5], "xyz": [8.223594626059048e-16, 5.1137857101339, 2.4754591400000003], "label": "Si", "properties": {"lmm": -0.0, "soc": null, "ecc": null}}, {"species": [{"element": "Si", "occu": 1}], "abc": [0.0, 0.712021, 0.0], "xyz": [1.4396921809744508e-15, 8.95262672448489, 5.481902831050737e-16], "label": "Si", "properties": {"lmm": -0.0001, "soc": null, "ecc": null}}, {"species": [{"element": "Ni", "occu": 1}], "abc": [0.351245, 0.851245, 0.75], "xyz": [4.416394142647051, 10.70316568764705, 3.7131887100000007], "label": "Ni", "properties": {"lmm": 0.0002, "soc": null, "ecc": null}}, {"species": [{"element": "Ni", "occu": 1}], "abc": [0.648755, 0.148755, 0.75], "xyz": [8.15714894735295, 1.8703774023529498, 3.7131887100000003], "label": "Ni", "properties": {"lmm": 0.0002, "soc": null, "ecc": null}}, {"species": [{"element": "Ni", "occu": 1}], "abc": [0.648755, 0.851245, 0.25], "xyz": [8.157148947352951, 10.70316568764705, 1.237729570000001], "label": "Ni", "properties": {"lmm": 0.0002, "soc": null, "ecc": null}}, {"species": [{"element": "Ni", "occu": 1}], "abc": [0.648755, 0.851245, 0.75], "xyz": [8.157148947352951, 10.70316568764705, 3.713188710000001], "label": "Ni", "properties": {"lmm": 0.0002, "soc": null, "ecc": null}}, {"species": [{"element": "Ni", "occu": 1}], "abc": [0.648755, 0.148755, 0.25], "xyz": [8.15714894735295, 1.8703774023529498, 1.2377295700000006], "label": "Ni", "properties": {"lmm": 0.0002, "soc": null, "ecc": null}}, {"species": [{"element": "Ni", "occu": 1}], "abc": [0.351245, 0.851245, 0.25], "xyz": [4.416394142647051, 10.70316568764705, 1.2377295700000008], "label": "Ni", "properties": {"lmm": 0.0002, "soc": null, "ecc": null}}, {"species": [{"element": "Ni", "occu": 1}], "abc": [0.351245, 0.148755, 0.75], "xyz": [4.416394142647049, 1.8703774023529498, 3.7131887100000003], "label": "Ni", "properties": {"lmm": 0.0002, "soc": null, "ecc": null}}, {"species": [{"element": "Ni", "occu": 1}], "abc": [0.351245, 0.148755, 0.25], "xyz": [4.416394142647049, 1.8703774023529498, 1.2377295700000004], "label": "Ni", "properties": {"lmm": 0.0002, "soc": null, "ecc": null}}, {"species": [{"element": "Ni", "occu": 1}], "abc": [0.851245, 0.351245, 0.25], "xyz": [10.70316568764705, 4.416394142647049, 1.2377295700000008], "label": "Ni", "properties": {"lmm": 0.0002, "soc": null, "ecc": null}}, {"species": [{"element": "Ni", "occu": 1}], "abc": [0.148755, 0.648755, 0.25], "xyz": [1.8703774023529511, 8.15714894735295, 1.2377295700000006], "label": "Ni", "properties": {"lmm": 0.0002, "soc": null, "ecc": null}}, {"species": [{"element": "Ni", "occu": 1}], "abc": [0.148755, 0.351245, 0.75], "xyz": [1.8703774023529505, 4.416394142647049, 3.7131887100000003], "label": "Ni", "properties": {"lmm": 0.0002, "soc": null, "ecc": null}}, {"species": [{"element": "Ni", "occu": 1}], "abc": [0.148755, 0.351245, 0.25], "xyz": [1.8703774023529505, 4.416394142647049, 1.2377295700000004], "label": "Ni", "properties": {"lmm": 0.0002, "soc": null, "ecc": null}}, {"species": [{"element": "Ni", "occu": 1}], "abc": [0.148755, 0.648755, 0.75], "xyz": [1.8703774023529511, 8.15714894735295, 3.7131887100000003], "label": "Ni", "properties": {"lmm": 0.0002, "soc": null, "ecc": null}}, {"species": [{"element": "Ni", "occu": 1}], "abc": [0.851245, 0.351245, 0.75], "xyz": [10.70316568764705, 4.416394142647049, 3.7131887100000007], "label": "Ni", "properties": {"lmm": 0.0002, "soc": null, "ecc": null}}, {"species": [{"element": "Ni", "occu": 1}], "abc": [0.851245, 0.648755, 0.25], "xyz": [10.703165687647052, 8.15714894735295, 1.237729570000001], "label": "Ni", "properties": {"lmm": 0.0002, "soc": null, "ecc": null}}, {"species": [{"element": "Ni", "occu": 1}], "abc": [0.851245, 0.648755, 0.75], "xyz": [10.703165687647052, 8.15714894735295, 3.713188710000001], "label": "Ni", "properties": {"lmm": 0.0002, "soc": null, "ecc": null}}]}