{"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0, "lattice": {"matrix": [[7.40881263, 0.0, 4.536589336405991e-16], [1.191427939751333e-15, 7.40881263, 4.536589336405991e-16], [0.0, 0.0, 7.40881263]], "pbc": [true, true, true], "a": 7.40881263, "b": 7.40881263, "c": 7.40881263, "alpha": 90.0, "beta": 90.0, "gamma": 89.99999999999999, "volume": 406.67346364714524}, "sites": [{"species": [{"element": "Zr", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Zr", "properties": {"lmm": 0.0001, "soc": null, "ecc": null}}, {"species": [{"element": "Zr", "occu": 1}], "abc": [0.0, 0.5, 0.5], "xyz": [5.957139698756665e-16, 3.704406315, 3.7044063150000004], "label": "Zr", "properties": {"lmm": 0.0001, "soc": null, "ecc": null}}, {"species": [{"element": "Zr", "occu": 1}], "abc": [0.5, 0.0, 0.5], "xyz": [3.704406315, 0.0, 3.7044063150000004], "label": "Zr", "properties": {"lmm": 0.0001, "soc": null, "ecc": null}}, {"species": [{"element": "Zr", "occu": 1}], "abc": [0.5, 0.5, 0.0], "xyz": [3.7044063150000004, 3.704406315, 4.536589336405991e-16], "label": "Zr", "properties": {"lmm": 0.0001, "soc": null, "ecc": null}}, {"species": [{"element": "B", "occu": 1}], "abc": [0.830458, 0.669542, 0.0], "xyz": [6.152707719084541, 4.96051122591546, 6.804884004608987e-16], "label": "B", "properties": {"lmm": -0.0, "soc": null, "ecc": null}}, {"species": [{"element": "B", "occu": 1}], "abc": [0.169542, 0.330458, 0.0], "xyz": [1.2561049109154605, 2.44830140408454, 2.2682946682029957e-16], "label": "B", "properties": {"lmm": -0.0, "soc": null, "ecc": null}}, {"species": [{"element": "B", "occu": 1}], "abc": [0.0, 0.330458, 0.169542], "xyz": [3.9371689411434594e-16, 2.44830140408454, 1.25610491091546], "label": "B", "properties": {"lmm": -0.0, "soc": null, "ecc": null}}, {"species": [{"element": "B", "occu": 1}], "abc": [0.0, 0.330458, 0.830458], "xyz": [3.9371689411434594e-16, 2.44830140408454, 6.152707719084541], "label": "B", "properties": {"lmm": -0.0, "soc": null, "ecc": null}}, {"species": [{"element": "B", "occu": 1}], "abc": [0.169542, 0.669542, 0.0], "xyz": [1.256104910915461, 4.96051122591546, 3.8065795267488847e-16], "label": "B", "properties": {"lmm": -0.0, "soc": null, "ecc": null}}, {"species": [{"element": "B", "occu": 1}], "abc": [0.830458, 0.330458, 0.0], "xyz": [6.15270771908454, 2.44830140408454, 5.266599146063099e-16], "label": "B", "properties": {"lmm": -0.0, "soc": null, "ecc": null}}, {"species": [{"element": "B", "occu": 1}], "abc": [0.169542, 0.5, 0.169542], "xyz": [1.2561049109154607, 3.704406315, 1.2561049109154603], "label": "B", "properties": {"lmm": -0.0, "soc": null, "ecc": null}}, {"species": [{"element": "B", "occu": 1}], "abc": [0.169542, 0.5, 0.830458], "xyz": [1.2561049109154607, 3.704406315, 6.152707719084541], "label": "B", "properties": {"lmm": -0.0, "soc": null, "ecc": null}}, {"species": [{"element": "B", "occu": 1}], "abc": [0.0, 0.669542, 0.169542], "xyz": [7.977110456369869e-16, 4.96051122591546, 1.2561049109154603], "label": "B", "properties": {"lmm": -0.0, "soc": null, "ecc": null}}, {"species": [{"element": "B", "occu": 1}], "abc": [0.830458, 0.5, 0.830458], "xyz": [6.152707719084541, 3.704406315, 6.152707719084541], "label": "B", "properties": {"lmm": -0.0, "soc": null, "ecc": null}}, {"species": [{"element": "B", "occu": 1}], "abc": [0.830458, 0.5, 0.169542], "xyz": [6.152707719084541, 3.704406315, 1.2561049109154605], "label": "B", "properties": {"lmm": -0.0, "soc": null, "ecc": null}}, {"species": [{"element": "B", "occu": 1}], "abc": [0.0, 0.669542, 0.830458], "xyz": [7.977110456369869e-16, 4.96051122591546, 6.152707719084541], "label": "B", "properties": {"lmm": -0.0, "soc": null, "ecc": null}}, {"species": [{"element": "B", "occu": 1}], "abc": [0.830458, 0.169542, 0.5], "xyz": [6.15270771908454, 1.25610491091546, 3.7044063150000004], "label": "B", "properties": {"lmm": -0.0, "soc": null, "ecc": null}}, {"species": [{"element": "B", "occu": 1}], "abc": [0.169542, 0.830458, 0.5], "xyz": [1.256104910915461, 6.15270771908454, 3.7044063150000004], "label": "B", "properties": {"lmm": -0.0, "soc": null, "ecc": null}}, {"species": [{"element": "B", "occu": 1}], "abc": [0.0, 0.830458, 0.669542], "xyz": [9.894308639900125e-16, 6.15270771908454, 4.96051122591546], "label": "B", "properties": {"lmm": -0.0, "soc": null, "ecc": null}}, {"species": [{"element": "B", "occu": 1}], "abc": [0.0, 0.830458, 0.330458], "xyz": [9.894308639900125e-16, 6.15270771908454, 2.4483014040845403], "label": "B", "properties": {"lmm": -0.0, "soc": null, "ecc": null}}, {"species": [{"element": "B", "occu": 1}], "abc": [0.169542, 0.169542, 0.5], "xyz": [1.2561049109154603, 1.25610491091546, 3.704406315], "label": "B", "properties": {"lmm": -0.0, "soc": null, "ecc": null}}, {"species": [{"element": "B", "occu": 1}], "abc": [0.830458, 0.830458, 0.5], "xyz": [6.152707719084541, 6.15270771908454, 3.704406315000001], "label": "B", "properties": {"lmm": -0.0, "soc": null, "ecc": null}}, {"species": [{"element": "B", "occu": 1}], "abc": [0.169542, 0.0, 0.669542], "xyz": [1.25610491091546, 0.0, 4.96051122591546], "label": "B", "properties": {"lmm": -0.0, "soc": null, "ecc": null}}, {"species": [{"element": "B", "occu": 1}], "abc": [0.169542, 0.0, 0.330458], "xyz": [1.25610491091546, 0.0, 2.44830140408454], "label": "B", "properties": {"lmm": -0.0, "soc": null, "ecc": null}}, {"species": [{"element": "B", "occu": 1}], "abc": [0.0, 0.169542, 0.669542], "xyz": [2.019970757613205e-16, 1.25610491091546, 4.96051122591546], "label": "B", "properties": {"lmm": -0.0, "soc": null, "ecc": null}}, {"species": [{"element": "B", "occu": 1}], "abc": [0.830458, 0.0, 0.330458], "xyz": [6.15270771908454, 0.0, 2.4483014040845403], "label": "B", "properties": {"lmm": -0.0, "soc": null, "ecc": null}}, {"species": [{"element": "B", "occu": 1}], "abc": [0.830458, 0.0, 0.669542], "xyz": [6.15270771908454, 0.0, 4.96051122591546], "label": "B", "properties": {"lmm": -0.0, "soc": null, "ecc": null}}, {"species": [{"element": "B", "occu": 1}], "abc": [0.0, 0.169542, 0.330458], "xyz": [2.019970757613205e-16, 1.25610491091546, 2.44830140408454], "label": "B", "properties": {"lmm": -0.0, "soc": null, "ecc": null}}, {"species": [{"element": "B", "occu": 1}], "abc": [0.330458, 0.669542, 0.5], "xyz": [2.4483014040845408, 4.96051122591546, 3.7044063150000004], "label": "B", "properties": {"lmm": -0.0, "soc": null, "ecc": null}}, {"species": [{"element": "B", "occu": 1}], "abc": [0.669542, 0.330458, 0.5], "xyz": [4.96051122591546, 2.44830140408454, 3.7044063150000004], "label": "B", "properties": {"lmm": -0.0, "soc": null, "ecc": null}}, {"species": [{"element": "B", "occu": 1}], "abc": [0.5, 0.330458, 0.669542], "xyz": [3.7044063150000004, 2.44830140408454, 4.96051122591546], "label": "B", "properties": {"lmm": -0.0, "soc": null, "ecc": null}}, {"species": [{"element": "B", "occu": 1}], "abc": [0.5, 0.330458, 0.330458], "xyz": [3.7044063150000004, 2.44830140408454, 2.4483014040845403], "label": "B", "properties": {"lmm": -0.0, "soc": null, "ecc": null}}, {"species": [{"element": "B", "occu": 1}], "abc": [0.669542, 0.669542, 0.5], "xyz": [4.960511225915461, 4.96051122591546, 3.7044063150000004], "label": "B", "properties": {"lmm": -0.0, "soc": null, "ecc": null}}, {"species": [{"element": "B", "occu": 1}], "abc": [0.330458, 0.330458, 0.5], "xyz": [2.4483014040845403, 2.44830140408454, 3.7044063150000004], "label": "B", "properties": {"lmm": -0.0, "soc": null, "ecc": null}}, {"species": [{"element": "B", "occu": 1}], "abc": [0.669542, 0.5, 0.669542], "xyz": [4.960511225915461, 3.704406315, 4.96051122591546], "label": "B", "properties": {"lmm": -0.0, "soc": null, "ecc": null}}, {"species": [{"element": "B", "occu": 1}], "abc": [0.669542, 0.5, 0.330458], "xyz": [4.960511225915461, 3.704406315, 2.4483014040845403], "label": "B", "properties": {"lmm": -0.0, "soc": null, "ecc": null}}, {"species": [{"element": "B", "occu": 1}], "abc": [0.5, 0.669542, 0.669542], "xyz": [3.704406315000001, 4.96051122591546, 4.96051122591546], "label": "B", "properties": {"lmm": -0.0, "soc": null, "ecc": null}}, {"species": [{"element": "B", "occu": 1}], "abc": [0.330458, 0.5, 0.330458], "xyz": [2.4483014040845403, 3.704406315, 2.4483014040845403], "label": "B", "properties": {"lmm": -0.0, "soc": null, "ecc": null}}, {"species": [{"element": "B", "occu": 1}], "abc": [0.330458, 0.5, 0.669542], "xyz": [2.4483014040845403, 3.704406315, 4.96051122591546], "label": "B", "properties": {"lmm": -0.0, "soc": null, "ecc": null}}, {"species": [{"element": "B", "occu": 1}], "abc": [0.5, 0.669542, 0.330458], "xyz": [3.704406315000001, 4.96051122591546, 2.4483014040845403], "label": "B", "properties": {"lmm": -0.0, "soc": null, "ecc": null}}, {"species": [{"element": "B", "occu": 1}], "abc": [0.330458, 0.169542, 0.0], "xyz": [2.44830140408454, 1.25610491091546, 2.2682946682029957e-16], "label": "B", "properties": {"lmm": -0.0, "soc": null, "ecc": null}}, {"species": [{"element": "B", "occu": 1}], "abc": [0.669542, 0.830458, 0.0], "xyz": [4.960511225915461, 6.15270771908454, 6.804884004608987e-16], "label": "B", "properties": {"lmm": -0.0, "soc": null, "ecc": null}}, {"species": [{"element": "B", "occu": 1}], "abc": [0.5, 0.830458, 0.169542], "xyz": [3.704406315000001, 6.15270771908454, 1.2561049109154605], "label": "B", "properties": {"lmm": -0.0, "soc": null, "ecc": null}}, {"species": [{"element": "B", "occu": 1}], "abc": [0.5, 0.830458, 0.830458], "xyz": [3.704406315000001, 6.15270771908454, 6.152707719084541], "label": "B", "properties": {"lmm": -0.0, "soc": null, "ecc": null}}, {"species": [{"element": "B", "occu": 1}], "abc": [0.669542, 0.169542, 0.0], "xyz": [4.96051122591546, 1.25610491091546, 3.8065795267488847e-16], "label": "B", "properties": {"lmm": -0.0, "soc": null, "ecc": null}}, {"species": [{"element": "B", "occu": 1}], "abc": [0.330458, 0.830458, 0.0], "xyz": [2.4483014040845408, 6.15270771908454, 5.266599146063098e-16], "label": "B", "properties": {"lmm": -0.0, "soc": null, "ecc": null}}, {"species": [{"element": "B", "occu": 1}], "abc": [0.669542, 0.0, 0.169542], "xyz": [4.96051122591546, 0.0, 1.2561049109154603], "label": "B", "properties": {"lmm": -0.0, "soc": null, "ecc": null}}, {"species": [{"element": "B", "occu": 1}], "abc": [0.669542, 0.0, 0.830458], "xyz": [4.96051122591546, 0.0, 6.152707719084541], "label": "B", "properties": {"lmm": -0.0, "soc": null, "ecc": null}}, {"species": [{"element": "B", "occu": 1}], "abc": [0.5, 0.169542, 0.169542], "xyz": [3.704406315, 1.25610491091546, 1.2561049109154603], "label": "B", "properties": {"lmm": -0.0, "soc": null, "ecc": null}}, {"species": [{"element": "B", "occu": 1}], "abc": [0.330458, 0.0, 0.830458], "xyz": [2.44830140408454, 0.0, 6.152707719084541], "label": "B", "properties": {"lmm": -0.0, "soc": null, "ecc": null}}, {"species": [{"element": "B", "occu": 1}], "abc": [0.330458, 0.0, 0.169542], "xyz": [2.44830140408454, 0.0, 1.25610491091546], "label": "B", "properties": {"lmm": -0.0, "soc": null, "ecc": null}}, {"species": [{"element": "B", "occu": 1}], "abc": [0.5, 0.169542, 0.830458], "xyz": [3.704406315, 1.25610491091546, 6.152707719084541], "label": "B", "properties": {"lmm": -0.0, "soc": null, "ecc": null}}]}