{"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0, "lattice": {"matrix": [[7.65986619, 0.0, 4.690315305740265e-16], [7.953497770905276e-16, 4.94582784, 3.0284461166949337e-16], [0.0, 0.0, 8.4606236]], "pbc": [true, true, true], "a": 7.65986619, "b": 4.94582784, "c": 8.4606236, "alpha": 90.0, "beta": 90.0, "gamma": 89.99999999999999, "volume": 320.5254748729021}, "sites": [{"species": [{"element": "Nb", "occu": 1}], "abc": [0.0, 0.331704, 0.185959], "xyz": [2.6382070246003634e-16, 1.6405508778393598, 1.5733291040324002], "label": "Nb", "properties": {"lmm": 0.0371, "soc": null, "ecc": null}}, {"species": [{"element": "Nb", "occu": 1}], "abc": [0.0, 0.665601, 0.319232], "xyz": [5.293856069812323e-16, 3.29194795613184, 2.7009017930752], "label": "Nb", "properties": {"lmm": 0.013, "soc": null, "ecc": null}}, {"species": [{"element": "Nb", "occu": 1}], "abc": [0.0, 0.665601, 0.680768], "xyz": [5.293856069812323e-16, 3.29194795613184, 5.759721806924801], "label": "Nb", "properties": {"lmm": 0.013, "soc": null, "ecc": null}}, {"species": [{"element": "Nb", "occu": 1}], "abc": [0.0, 0.331704, 0.814041], "xyz": [2.6382070246003634e-16, 1.6405508778393598, 6.8872944959676], "label": "Nb", "properties": {"lmm": 0.0371, "soc": null, "ecc": null}}, {"species": [{"element": "Nb", "occu": 1}], "abc": [0.5, 0.831704, 0.185959], "xyz": [3.8299330950000003, 4.1134647978393595, 1.5733291040324007], "label": "Nb", "properties": {"lmm": 0.0372, "soc": null, "ecc": null}}, {"species": [{"element": "Nb", "occu": 1}], "abc": [0.5, 0.165601, 0.319232], "xyz": [3.829933095, 0.81903403613184, 2.7009017930752], "label": "Nb", "properties": {"lmm": 0.013, "soc": null, "ecc": null}}, {"species": [{"element": "Nb", "occu": 1}], "abc": [0.5, 0.165601, 0.680768], "xyz": [3.829933095, 0.81903403613184, 5.759721806924801], "label": "Nb", "properties": {"lmm": 0.013, "soc": null, "ecc": null}}, {"species": [{"element": "Nb", "occu": 1}], "abc": [0.5, 0.831704, 0.814041], "xyz": [3.8299330950000003, 4.1134647978393595, 6.8872944959676], "label": "Nb", "properties": {"lmm": 0.0372, "soc": null, "ecc": null}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.00228, 0.254454], "xyz": [1.813397491766403e-18, 0.011276487475199999, 2.1528395175144], "label": "Fe", "properties": {"lmm": 0.5528, "soc": null, "ecc": null}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.00228, 0.745546], "xyz": [1.813397491766403e-18, 0.011276487475199999, 6.3077840824856], "label": "Fe", "properties": {"lmm": 0.5528, "soc": null, "ecc": null}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.830157, 0.0], "xyz": [6.602651849001411e-16, 4.10581360217088, 2.514085742897116e-16], "label": "Fe", "properties": {"lmm": 1.631, "soc": null, "ecc": null}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.5, 0.50228, 0.254454], "xyz": [3.8299330950000003, 2.4841904074751997, 2.1528395175144004], "label": "Fe", "properties": {"lmm": 0.5529, "soc": null, "ecc": null}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.5, 0.50228, 0.745546], "xyz": [3.8299330950000003, 2.4841904074751997, 6.3077840824856], "label": "Fe", "properties": {"lmm": 0.5529, "soc": null, "ecc": null}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.5, 0.330157, 0.0], "xyz": [3.8299330950000003, 1.6328996821708799, 3.3450203374197816e-16], "label": "Fe", "properties": {"lmm": 1.6311, "soc": null, "ecc": null}}, {"species": [{"element": "Si", "occu": 1}], "abc": [0.751759, 0.584489, 0.0], "xyz": [5.75837334712821, 2.89078196837376, 5.296080186228902e-16], "label": "Si", "properties": {"lmm": -0.0182, "soc": null, "ecc": null}}, {"species": [{"element": "Si", "occu": 1}], "abc": [0.248241, 0.584489, 0.0], "xyz": [1.9014928428717903, 2.89078196837376, 2.9344220041131744e-16], "label": "Si", "properties": {"lmm": -0.0182, "soc": null, "ecc": null}}, {"species": [{"element": "Si", "occu": 1}], "abc": [0.0, 0.169283, 0.5], "xyz": [1.3463919631521577e-16, 0.8372445742387199, 4.2303118], "label": "Si", "properties": {"lmm": -0.0054, "soc": null, "ecc": null}}, {"species": [{"element": "Si", "occu": 1}], "abc": [0.248605, 0.416221, 0.5], "xyz": [1.90428103416495, 2.0585574093926398, 4.2303118], "label": "Si", "properties": {"lmm": -0.0074, "soc": null, "ecc": null}}, {"species": [{"element": "Si", "occu": 1}], "abc": [0.751395, 0.416221, 0.5], "xyz": [5.75558515583505, 2.0585574093926398, 4.230311800000001], "label": "Si", "properties": {"lmm": -0.0074, "soc": null, "ecc": null}}, {"species": [{"element": "Si", "occu": 1}], "abc": [0.251759, 0.084489, 0.0], "xyz": [1.92844025212821, 0.41786804837375996, 1.4366994750113018e-16], "label": "Si", "properties": {"lmm": -0.0182, "soc": null, "ecc": null}}, {"species": [{"element": "Si", "occu": 1}], "abc": [0.748241, 0.084489, 0.0], "xyz": [5.73142593787179, 0.41786804837375996, 3.7653565986358405e-16], "label": "Si", "properties": {"lmm": -0.0182, "soc": null, "ecc": null}}, {"species": [{"element": "Si", "occu": 1}], "abc": [0.5, 0.669283, 0.5], "xyz": [3.8299330950000003, 3.3101584942387197, 4.2303118], "label": "Si", "properties": {"lmm": -0.0054, "soc": null, "ecc": null}}, {"species": [{"element": "Si", "occu": 1}], "abc": [0.748605, 0.916221, 0.5], "xyz": [5.73421412916495, 4.531471329392639, 4.230311800000001], "label": "Si", "properties": {"lmm": -0.0074, "soc": null, "ecc": null}}, {"species": [{"element": "Si", "occu": 1}], "abc": [0.251395, 0.916221, 0.5], "xyz": [1.9256520608350505, 4.531471329392639, 4.2303118], "label": "Si", "properties": {"lmm": -0.0074, "soc": null, "ecc": null}}]}