{"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0, "lattice": {"matrix": [[12.10387606, 0.0, 7.411486537077638e-16], [1.946451724096481e-15, 12.10387606, 7.411486537077638e-16], [0.0, 0.0, 12.10387606]], "pbc": [true, true, true], "a": 12.10387606, "b": 12.10387606, "c": 12.10387606, "alpha": 90.0, "beta": 90.0, "gamma": 89.99999999999999, "volume": 1773.2640272574658}, "sites": [{"species": [{"element": "Zr", "occu": 1}], "abc": [0.0, 0.0, 0.691357], "xyz": [0.0, 0.0, 8.368099441213419], "label": "Zr", "properties": {"lmm": 0.002, "soc": null, "ecc": null}}, {"species": [{"element": "Zr", "occu": 1}], "abc": [0.0, 0.808643, 0.5], "xyz": [1.5739845615285507e-15, 9.78771464878658, 6.0519380300000005], "label": "Zr", "properties": {"lmm": 0.0019, "soc": null, "ecc": null}}, {"species": [{"element": "Zr", "occu": 1}], "abc": [0.308643, 0.0, 0.0], "xyz": [3.7357766187865797, 0.0, 2.287503439263253e-16], "label": "Zr", "properties": {"lmm": 0.002, "soc": null, "ecc": null}}, {"species": [{"element": "Zr", "occu": 1}], "abc": [0.0, 0.0, 0.308643], "xyz": [0.0, 0.0, 3.7357766187865797], "label": "Zr", "properties": {"lmm": 0.002, "soc": null, "ecc": null}}, {"species": [{"element": "Zr", "occu": 1}], "abc": [0.0, 0.191357, 0.5], "xyz": [3.724671625679303e-16, 2.31616141121342, 6.05193803], "label": "Zr", "properties": {"lmm": 0.0019, "soc": null, "ecc": null}}, {"species": [{"element": "Zr", "occu": 1}], "abc": [0.191357, 0.0, 0.5], "xyz": [2.31616141121342, 0.0, 6.05193803], "label": "Zr", "properties": {"lmm": 0.0019, "soc": null, "ecc": null}}, {"species": [{"element": "Zr", "occu": 1}], "abc": [0.0, 0.5, 0.191357], "xyz": [9.732258620482405e-16, 6.05193803, 2.3161614112134203], "label": "Zr", "properties": {"lmm": 0.0019, "soc": null, "ecc": null}}, {"species": [{"element": "Zr", "occu": 1}], "abc": [0.0, 0.308643, 0.0], "xyz": [6.007586994803101e-16, 3.7357766187865797, 2.287503439263253e-16], "label": "Zr", "properties": {"lmm": 0.002, "soc": null, "ecc": null}}, {"species": [{"element": "Zr", "occu": 1}], "abc": [0.308643, 0.5, 0.5], "xyz": [3.7357766187865806, 6.05193803, 6.0519380300000005], "label": "Zr", "properties": {"lmm": 0.002, "soc": null, "ecc": null}}, {"species": [{"element": "Zr", "occu": 1}], "abc": [0.0, 0.5, 0.808643], "xyz": [9.732258620482405e-16, 6.05193803, 9.78771464878658], "label": "Zr", "properties": {"lmm": 0.0019, "soc": null, "ecc": null}}, {"species": [{"element": "Zr", "occu": 1}], "abc": [0.0, 0.691357, 0.0], "xyz": [1.3456930246161707e-15, 8.368099441213419, 5.123983097814384e-16], "label": "Zr", "properties": {"lmm": 0.002, "soc": null, "ecc": null}}, {"species": [{"element": "Zr", "occu": 1}], "abc": [0.191357, 0.5, 0.0], "xyz": [2.316161411213421, 6.05193803, 5.123983097814384e-16], "label": "Zr", "properties": {"lmm": 0.0019, "soc": null, "ecc": null}}, {"species": [{"element": "Zr", "occu": 1}], "abc": [0.5, 0.0, 0.191357], "xyz": [6.05193803, 0.0, 2.3161614112134203], "label": "Zr", "properties": {"lmm": 0.0019, "soc": null, "ecc": null}}, {"species": [{"element": "Zr", "occu": 1}], "abc": [0.5, 0.808643, 0.0], "xyz": [6.051938030000001, 9.78771464878658, 9.69898997634089e-16], "label": "Zr", "properties": {"lmm": 0.0019, "soc": null, "ecc": null}}, {"species": [{"element": "Zr", "occu": 1}], "abc": [0.808643, 0.0, 0.5], "xyz": [9.78771464878658, 0.0, 6.0519380300000005], "label": "Zr", "properties": {"lmm": 0.0019, "soc": null, "ecc": null}}, {"species": [{"element": "Zr", "occu": 1}], "abc": [0.5, 0.0, 0.808643], "xyz": [6.05193803, 0.0, 9.78771464878658], "label": "Zr", "properties": {"lmm": 0.0019, "soc": null, "ecc": null}}, {"species": [{"element": "Zr", "occu": 1}], "abc": [0.5, 0.191357, 0.0], "xyz": [6.05193803, 2.31616141121342, 5.123983097814384e-16], "label": "Zr", "properties": {"lmm": 0.0019, "soc": null, "ecc": null}}, {"species": [{"element": "Zr", "occu": 1}], "abc": [0.691357, 0.0, 0.0], "xyz": [8.368099441213419, 0.0, 5.123983097814384e-16], "label": "Zr", "properties": {"lmm": 0.002, "soc": null, "ecc": null}}, {"species": [{"element": "Zr", "occu": 1}], "abc": [0.5, 0.5, 0.691357], "xyz": [6.0519380300000005, 6.05193803, 8.36809944121342], "label": "Zr", "properties": {"lmm": 0.002, "soc": null, "ecc": null}}, {"species": [{"element": "Zr", "occu": 1}], "abc": [0.5, 0.308643, 0.5], "xyz": [6.0519380300000005, 3.7357766187865797, 6.0519380300000005], "label": "Zr", "properties": {"lmm": 0.002, "soc": null, "ecc": null}}, {"species": [{"element": "Zr", "occu": 1}], "abc": [0.808643, 0.5, 0.0], "xyz": [9.787714648786581, 6.05193803, 9.69898997634089e-16], "label": "Zr", "properties": {"lmm": 0.0019, "soc": null, "ecc": null}}, {"species": [{"element": "Zr", "occu": 1}], "abc": [0.5, 0.5, 0.308643], "xyz": [6.0519380300000005, 6.05193803, 3.7357766187865806], "label": "Zr", "properties": {"lmm": 0.002, "soc": null, "ecc": null}}, {"species": [{"element": "Zr", "occu": 1}], "abc": [0.5, 0.691357, 0.5], "xyz": [6.051938030000001, 8.368099441213419, 6.0519380300000005], "label": "Zr", "properties": {"lmm": 0.002, "soc": null, "ecc": null}}, {"species": [{"element": "Zr", "occu": 1}], "abc": [0.691357, 0.5, 0.5], "xyz": [8.36809944121342, 6.05193803, 6.0519380300000005], "label": "Zr", "properties": {"lmm": 0.002, "soc": null, "ecc": null}}, {"species": [{"element": "Al", "occu": 1}], "abc": [0.119174, 0.119174, 0.880826], "xyz": [1.4424673255744402, 1.44246732557444, 10.66140873442556], "label": "Al", "properties": {"lmm": -0.0001, "soc": null, "ecc": null}}, {"species": [{"element": "Al", "occu": 1}], "abc": [0.119174, 0.380826, 0.619174], "xyz": [1.4424673255744407, 4.60947070442556, 7.49440535557444], "label": "Al", "properties": {"lmm": -0.0001, "soc": null, "ecc": null}}, {"species": [{"element": "Al", "occu": 1}], "abc": [0.380826, 0.119174, 0.619174], "xyz": [4.60947070442556, 1.44246732557444, 7.49440535557444], "label": "Al", "properties": {"lmm": -0.0001, "soc": null, "ecc": null}}, {"species": [{"element": "Al", "occu": 1}], "abc": [0.380826, 0.380826, 0.880826], "xyz": [4.6094707044255605, 4.60947070442556, 10.66140873442556], "label": "Al", "properties": {"lmm": -0.0001, "soc": null, "ecc": null}}, {"species": [{"element": "Al", "occu": 1}], "abc": [0.380826, 0.880826, 0.619174], "xyz": [4.609470704425561, 10.66140873442556, 7.4944053555744405], "label": "Al", "properties": {"lmm": -0.0001, "soc": null, "ecc": null}}, {"species": [{"element": "Al", "occu": 1}], "abc": [0.380826, 0.619174, 0.880826], "xyz": [4.6094707044255605, 7.49440535557444, 10.66140873442556], "label": "Al", "properties": {"lmm": -0.0001, "soc": null, "ecc": null}}, {"species": [{"element": "Al", "occu": 1}], "abc": [0.119174, 0.880826, 0.880826], "xyz": [1.4424673255744418, 10.66140873442556, 10.66140873442556], "label": "Al", "properties": {"lmm": -0.0001, "soc": null, "ecc": null}}, {"species": [{"element": "Al", "occu": 1}], "abc": [0.119174, 0.619174, 0.619174], "xyz": [1.4424673255744411, 7.49440535557444, 7.4944053555744405], "label": "Al", "properties": {"lmm": -0.0001, "soc": null, "ecc": null}}, {"species": [{"element": "Al", "occu": 1}], "abc": [0.333583, 0.833583, 0.166417], "xyz": [4.037647287722982, 10.089585317722978, 2.0142907422770207], "label": "Al", "properties": {"lmm": -0.0001, "soc": null, "ecc": null}}, {"species": [{"element": "Al", "occu": 1}], "abc": [0.333583, 0.166417, 0.833583], "xyz": [4.03764728772298, 2.01429074227702, 10.08958531772298], "label": "Al", "properties": {"lmm": -0.0001, "soc": null, "ecc": null}}, {"species": [{"element": "Al", "occu": 1}], "abc": [0.166417, 0.833583, 0.333583], "xyz": [2.014290742277022, 10.089585317722978, 4.03764728772298], "label": "Al", "properties": {"lmm": -0.0001, "soc": null, "ecc": null}}, {"species": [{"element": "Al", "occu": 1}], "abc": [0.166417, 0.166417, 0.666417], "xyz": [2.0142907422770207, 2.01429074227702, 8.06622877227702], "label": "Al", "properties": {"lmm": -0.0001, "soc": null, "ecc": null}}, {"species": [{"element": "Al", "occu": 1}], "abc": [0.166417, 0.166417, 0.333583], "xyz": [2.0142907422770207, 2.01429074227702, 4.03764728772298], "label": "Al", "properties": {"lmm": -0.0001, "soc": null, "ecc": null}}, {"species": [{"element": "Al", "occu": 1}], "abc": [0.166417, 0.833583, 0.666417], "xyz": [2.014290742277022, 10.089585317722978, 8.06622877227702], "label": "Al", "properties": {"lmm": -0.0001, "soc": null, "ecc": null}}, {"species": [{"element": "Al", "occu": 1}], "abc": [0.333583, 0.166417, 0.166417], "xyz": [4.03764728772298, 2.01429074227702, 2.01429074227702], "label": "Al", "properties": {"lmm": -0.0001, "soc": null, "ecc": null}}, {"species": [{"element": "Al", "occu": 1}], "abc": [0.333583, 0.833583, 0.833583], "xyz": [4.037647287722982, 10.089585317722978, 10.08958531772298], "label": "Al", "properties": {"lmm": -0.0001, "soc": null, "ecc": null}}, {"species": [{"element": "Al", "occu": 1}], "abc": [0.119174, 0.619174, 0.380826], "xyz": [1.4424673255744411, 7.49440535557444, 4.6094707044255605], "label": "Al", "properties": {"lmm": -0.0001, "soc": null, "ecc": null}}, {"species": [{"element": "Al", "occu": 1}], "abc": [0.119174, 0.880826, 0.119174], "xyz": [1.4424673255744418, 10.66140873442556, 1.4424673255744407], "label": "Al", "properties": {"lmm": -0.0001, "soc": null, "ecc": null}}, {"species": [{"element": "Al", "occu": 1}], "abc": [0.380826, 0.619174, 0.119174], "xyz": [4.6094707044255605, 7.49440535557444, 1.4424673255744407], "label": "Al", "properties": {"lmm": -0.0001, "soc": null, "ecc": null}}, {"species": [{"element": "Al", "occu": 1}], "abc": [0.380826, 0.880826, 0.380826], "xyz": [4.609470704425561, 10.66140873442556, 4.6094707044255605], "label": "Al", "properties": {"lmm": -0.0001, "soc": null, "ecc": null}}, {"species": [{"element": "Al", "occu": 1}], "abc": [0.380826, 0.380826, 0.119174], "xyz": [4.6094707044255605, 4.60947070442556, 1.4424673255744405], "label": "Al", "properties": {"lmm": -0.0001, "soc": null, "ecc": null}}, {"species": [{"element": "Al", "occu": 1}], "abc": [0.380826, 0.119174, 0.380826], "xyz": [4.60947070442556, 1.44246732557444, 4.6094707044255605], "label": "Al", "properties": {"lmm": -0.0001, "soc": null, "ecc": null}}, {"species": [{"element": "Al", "occu": 1}], "abc": [0.119174, 0.380826, 0.380826], "xyz": [1.4424673255744407, 4.60947070442556, 4.6094707044255605], "label": "Al", "properties": {"lmm": -0.0001, "soc": null, "ecc": null}}, {"species": [{"element": "Al", "occu": 1}], "abc": [0.119174, 0.119174, 0.119174], "xyz": [1.4424673255744402, 1.44246732557444, 1.44246732557444], "label": "Al", "properties": {"lmm": -0.0001, "soc": null, "ecc": null}}, {"species": [{"element": "Al", "occu": 1}], "abc": [0.333583, 0.333583, 0.666417], "xyz": [4.037647287722981, 4.03764728772298, 8.06622877227702], "label": "Al", "properties": {"lmm": -0.0001, "soc": null, "ecc": null}}, {"species": [{"element": "Al", "occu": 1}], "abc": [0.333583, 0.666417, 0.333583], "xyz": [4.037647287722981, 8.06622877227702, 4.03764728772298], "label": "Al", "properties": {"lmm": -0.0001, "soc": null, "ecc": null}}, {"species": [{"element": "Al", "occu": 1}], "abc": [0.166417, 0.333583, 0.833583], "xyz": [2.0142907422770207, 4.03764728772298, 10.08958531772298], "label": "Al", "properties": {"lmm": -0.0001, "soc": null, "ecc": null}}, {"species": [{"element": "Al", "occu": 1}], "abc": [0.166417, 0.666417, 0.166417], "xyz": [2.0142907422770215, 8.06622877227702, 2.0142907422770207], "label": "Al", "properties": {"lmm": -0.0001, "soc": null, "ecc": null}}, {"species": [{"element": "Al", "occu": 1}], "abc": [0.166417, 0.666417, 0.833583], "xyz": [2.0142907422770215, 8.06622877227702, 10.08958531772298], "label": "Al", "properties": {"lmm": -0.0001, "soc": null, "ecc": null}}, {"species": [{"element": "Al", "occu": 1}], "abc": [0.166417, 0.333583, 0.166417], "xyz": [2.0142907422770207, 4.03764728772298, 2.01429074227702], "label": "Al", "properties": {"lmm": -0.0001, "soc": null, "ecc": null}}, {"species": [{"element": "Al", "occu": 1}], "abc": [0.333583, 0.666417, 0.666417], "xyz": [4.037647287722981, 8.06622877227702, 8.06622877227702], "label": "Al", "properties": {"lmm": -0.0001, "soc": null, "ecc": null}}, {"species": [{"element": "Al", "occu": 1}], "abc": [0.333583, 0.333583, 0.333583], "xyz": [4.037647287722981, 4.03764728772298, 4.03764728772298], "label": "Al", "properties": {"lmm": -0.0001, "soc": null, "ecc": null}}, {"species": [{"element": "Al", "occu": 1}], "abc": [0.619174, 0.119174, 0.380826], "xyz": [7.49440535557444, 1.44246732557444, 4.6094707044255605], "label": "Al", "properties": {"lmm": -0.0001, "soc": null, "ecc": null}}, {"species": [{"element": "Al", "occu": 1}], "abc": [0.619174, 0.380826, 0.119174], "xyz": [7.4944053555744405, 4.60947070442556, 1.4424673255744407], "label": "Al", "properties": {"lmm": -0.0001, "soc": null, "ecc": null}}, {"species": [{"element": "Al", "occu": 1}], "abc": [0.880826, 0.119174, 0.119174], "xyz": [10.66140873442556, 1.44246732557444, 1.4424673255744407], "label": "Al", "properties": {"lmm": -0.0001, "soc": null, "ecc": null}}, {"species": [{"element": "Al", "occu": 1}], "abc": [0.880826, 0.380826, 0.380826], "xyz": [10.66140873442556, 4.60947070442556, 4.6094707044255605], "label": "Al", "properties": {"lmm": -0.0001, "soc": null, "ecc": null}}, {"species": [{"element": "Al", "occu": 1}], "abc": [0.880826, 0.880826, 0.119174], "xyz": [10.661408734425562, 10.66140873442556, 1.4424673255744414], "label": "Al", "properties": {"lmm": -0.0001, "soc": null, "ecc": null}}, {"species": [{"element": "Al", "occu": 1}], "abc": [0.880826, 0.619174, 0.380826], "xyz": [10.661408734425562, 7.49440535557444, 4.6094707044255605], "label": "Al", "properties": {"lmm": -0.0001, "soc": null, "ecc": null}}, {"species": [{"element": "Al", "occu": 1}], "abc": [0.619174, 0.880826, 0.380826], "xyz": [7.494405355574441, 10.66140873442556, 4.6094707044255605], "label": "Al", "properties": {"lmm": -0.0001, "soc": null, "ecc": null}}, {"species": [{"element": "Al", "occu": 1}], "abc": [0.619174, 0.619174, 0.119174], "xyz": [7.4944053555744405, 7.49440535557444, 1.442467325574441], "label": "Al", "properties": {"lmm": -0.0001, "soc": null, "ecc": null}}, {"species": [{"element": "Al", "occu": 1}], "abc": [0.833583, 0.833583, 0.666417], "xyz": [10.08958531772298, 10.089585317722978, 8.066228772277022], "label": "Al", "properties": {"lmm": -0.0001, "soc": null, "ecc": null}}, {"species": [{"element": "Al", "occu": 1}], "abc": [0.833583, 0.166417, 0.333583], "xyz": [10.089585317722978, 2.01429074227702, 4.03764728772298], "label": "Al", "properties": {"lmm": -0.0001, "soc": null, "ecc": null}}, {"species": [{"element": "Al", "occu": 1}], "abc": [0.666417, 0.833583, 0.833583], "xyz": [8.066228772277022, 10.089585317722978, 10.08958531772298], "label": "Al", "properties": {"lmm": -0.0001, "soc": null, "ecc": null}}, {"species": [{"element": "Al", "occu": 1}], "abc": [0.666417, 0.166417, 0.166417], "xyz": [8.06622877227702, 2.01429074227702, 2.0142907422770207], "label": "Al", "properties": {"lmm": -0.0001, "soc": null, "ecc": null}}, {"species": [{"element": "Al", "occu": 1}], "abc": [0.666417, 0.166417, 0.833583], "xyz": [8.06622877227702, 2.01429074227702, 10.08958531772298], "label": "Al", "properties": {"lmm": -0.0001, "soc": null, "ecc": null}}, {"species": [{"element": "Al", "occu": 1}], "abc": [0.666417, 0.833583, 0.166417], "xyz": [8.066228772277022, 10.089585317722978, 2.014290742277021], "label": "Al", "properties": {"lmm": -0.0001, "soc": null, "ecc": null}}, {"species": [{"element": "Al", "occu": 1}], "abc": [0.833583, 0.166417, 0.666417], "xyz": [10.089585317722978, 2.01429074227702, 8.06622877227702], "label": "Al", "properties": {"lmm": -0.0001, "soc": null, "ecc": null}}, {"species": [{"element": "Al", "occu": 1}], "abc": [0.833583, 0.833583, 0.333583], "xyz": [10.08958531772298, 10.089585317722978, 4.037647287722981], "label": "Al", "properties": {"lmm": -0.0001, "soc": null, "ecc": null}}, {"species": [{"element": "Al", "occu": 1}], "abc": [0.619174, 0.619174, 0.880826], "xyz": [7.4944053555744405, 7.49440535557444, 10.66140873442556], "label": "Al", "properties": {"lmm": -0.0001, "soc": null, "ecc": null}}, {"species": [{"element": "Al", "occu": 1}], "abc": [0.619174, 0.880826, 0.619174], "xyz": [7.494405355574441, 10.66140873442556, 7.4944053555744405], "label": "Al", "properties": {"lmm": -0.0001, "soc": null, "ecc": null}}, {"species": [{"element": "Al", "occu": 1}], "abc": [0.880826, 0.619174, 0.619174], "xyz": [10.661408734425562, 7.49440535557444, 7.4944053555744405], "label": "Al", "properties": {"lmm": -0.0001, "soc": null, "ecc": null}}, {"species": [{"element": "Al", "occu": 1}], "abc": [0.880826, 0.880826, 0.880826], "xyz": [10.661408734425562, 10.66140873442556, 10.66140873442556], "label": "Al", "properties": {"lmm": -0.0001, "soc": null, "ecc": null}}, {"species": [{"element": "Al", "occu": 1}], "abc": [0.880826, 0.380826, 0.619174], "xyz": [10.66140873442556, 4.60947070442556, 7.4944053555744405], "label": "Al", "properties": {"lmm": -0.0001, "soc": null, "ecc": null}}, {"species": [{"element": "Al", "occu": 1}], "abc": [0.880826, 0.119174, 0.880826], "xyz": [10.66140873442556, 1.44246732557444, 10.66140873442556], "label": "Al", "properties": {"lmm": -0.0001, "soc": null, "ecc": null}}, {"species": [{"element": "Al", "occu": 1}], "abc": [0.619174, 0.380826, 0.880826], "xyz": [7.4944053555744405, 4.60947070442556, 10.66140873442556], "label": "Al", "properties": {"lmm": -0.0001, "soc": null, "ecc": null}}, {"species": [{"element": "Al", "occu": 1}], "abc": [0.619174, 0.119174, 0.619174], "xyz": [7.49440535557444, 1.44246732557444, 7.4944053555744405], "label": "Al", "properties": {"lmm": -0.0001, "soc": null, "ecc": null}}, {"species": [{"element": "Al", "occu": 1}], "abc": [0.833583, 0.333583, 0.166417], "xyz": [10.089585317722978, 4.03764728772298, 2.0142907422770207], "label": "Al", "properties": {"lmm": -0.0001, "soc": null, "ecc": null}}, {"species": [{"element": "Al", "occu": 1}], "abc": [0.833583, 0.666417, 0.833583], "xyz": [10.08958531772298, 8.06622877227702, 10.08958531772298], "label": "Al", "properties": {"lmm": -0.0001, "soc": null, "ecc": null}}, {"species": [{"element": "Al", "occu": 1}], "abc": [0.666417, 0.333583, 0.333583], "xyz": [8.06622877227702, 4.03764728772298, 4.03764728772298], "label": "Al", "properties": {"lmm": -0.0001, "soc": null, "ecc": null}}, {"species": [{"element": "Al", "occu": 1}], "abc": [0.666417, 0.666417, 0.666417], "xyz": [8.066228772277022, 8.06622877227702, 8.066228772277022], "label": "Al", "properties": {"lmm": -0.0001, "soc": null, "ecc": null}}, {"species": [{"element": "Al", "occu": 1}], "abc": [0.666417, 0.666417, 0.333583], "xyz": [8.066228772277022, 8.06622877227702, 4.037647287722981], "label": "Al", "properties": {"lmm": -0.0001, "soc": null, "ecc": null}}, {"species": [{"element": "Al", "occu": 1}], "abc": [0.666417, 0.333583, 0.666417], "xyz": [8.06622877227702, 4.03764728772298, 8.06622877227702], "label": "Al", "properties": {"lmm": -0.0001, "soc": null, "ecc": null}}, {"species": [{"element": "Al", "occu": 1}], "abc": [0.833583, 0.666417, 0.166417], "xyz": [10.08958531772298, 8.06622877227702, 2.014290742277021], "label": "Al", "properties": {"lmm": -0.0001, "soc": null, "ecc": null}}, {"species": [{"element": "Al", "occu": 1}], "abc": [0.833583, 0.333583, 0.833583], "xyz": [10.089585317722978, 4.03764728772298, 10.08958531772298], "label": "Al", "properties": {"lmm": -0.0001, "soc": null, "ecc": null}}, {"species": [{"element": "Ni", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Ni", "properties": {"lmm": -0.0005, "soc": null, "ecc": null}}, {"species": [{"element": "Ni", "occu": 1}], "abc": [0.25, 0.25, 0.0], "xyz": [3.0259690150000003, 3.025969015, 3.705743268538819e-16], "label": "Ni", "properties": {"lmm": 0.0002, "soc": null, "ecc": null}}, {"species": [{"element": "Ni", "occu": 1}], "abc": [0.25, 0.0, 0.75], "xyz": [3.025969015, 0.0, 9.077907045], "label": "Ni", "properties": {"lmm": 0.0002, "soc": null, "ecc": null}}, {"species": [{"element": "Ni", "occu": 1}], "abc": [0.0, 0.25, 0.75], "xyz": [4.866129310241202e-16, 3.025969015, 9.077907045], "label": "Ni", "properties": {"lmm": 0.0002, "soc": null, "ecc": null}}, {"species": [{"element": "Ni", "occu": 1}], "abc": [0.25, 0.75, 0.0], "xyz": [3.025969015000001, 9.077907045, 7.411486537077638e-16], "label": "Ni", "properties": {"lmm": 0.0002, "soc": null, "ecc": null}}, {"species": [{"element": "Ni", "occu": 1}], "abc": [0.25, 0.0, 0.25], "xyz": [3.025969015, 0.0, 3.025969015], "label": "Ni", "properties": {"lmm": 0.0002, "soc": null, "ecc": null}}, {"species": [{"element": "Ni", "occu": 1}], "abc": [0.0, 0.75, 0.75], "xyz": [1.4598387930723607e-15, 9.077907045, 9.077907045], "label": "Ni", "properties": {"lmm": 0.0002, "soc": null, "ecc": null}}, {"species": [{"element": "Ni", "occu": 1}], "abc": [0.0, 0.5, 0.5], "xyz": [9.732258620482405e-16, 6.05193803, 6.05193803], "label": "Ni", "properties": {"lmm": -0.0004, "soc": null, "ecc": null}}, {"species": [{"element": "Ni", "occu": 1}], "abc": [0.25, 0.75, 0.5], "xyz": [3.025969015000001, 9.077907045, 6.0519380300000005], "label": "Ni", "properties": {"lmm": 0.0001, "soc": null, "ecc": null}}, {"species": [{"element": "Ni", "occu": 1}], "abc": [0.25, 0.5, 0.25], "xyz": [3.0259690150000007, 6.05193803, 3.0259690150000003], "label": "Ni", "properties": {"lmm": 0.0001, "soc": null, "ecc": null}}, {"species": [{"element": "Ni", "occu": 1}], "abc": [0.0, 0.75, 0.25], "xyz": [1.4598387930723607e-15, 9.077907045, 3.0259690150000003], "label": "Ni", "properties": {"lmm": 0.0002, "soc": null, "ecc": null}}, {"species": [{"element": "Ni", "occu": 1}], "abc": [0.25, 0.25, 0.5], "xyz": [3.0259690150000003, 3.025969015, 6.05193803], "label": "Ni", "properties": {"lmm": 0.0001, "soc": null, "ecc": null}}, {"species": [{"element": "Ni", "occu": 1}], "abc": [0.25, 0.5, 0.75], "xyz": [3.0259690150000007, 6.05193803, 9.077907045], "label": "Ni", "properties": {"lmm": 0.0001, "soc": null, "ecc": null}}, {"species": [{"element": "Ni", "occu": 1}], "abc": [0.0, 0.25, 0.25], "xyz": [4.866129310241202e-16, 3.025969015, 3.025969015], "label": "Ni", "properties": {"lmm": 0.0002, "soc": null, "ecc": null}}, {"species": [{"element": "Ni", "occu": 1}], "abc": [0.5, 0.0, 0.5], "xyz": [6.05193803, 0.0, 6.05193803], "label": "Ni", "properties": {"lmm": -0.0004, "soc": null, "ecc": null}}, {"species": [{"element": "Ni", "occu": 1}], "abc": [0.75, 0.25, 0.5], "xyz": [9.077907045, 3.025969015, 6.0519380300000005], "label": "Ni", "properties": {"lmm": 0.0001, "soc": null, "ecc": null}}, {"species": [{"element": "Ni", "occu": 1}], "abc": [0.75, 0.0, 0.25], "xyz": [9.077907045, 0.0, 3.0259690150000003], "label": "Ni", "properties": {"lmm": 0.0002, "soc": null, "ecc": null}}, {"species": [{"element": "Ni", "occu": 1}], "abc": [0.5, 0.25, 0.25], "xyz": [6.0519380300000005, 3.025969015, 3.0259690150000003], "label": "Ni", "properties": {"lmm": 0.0001, "soc": null, "ecc": null}}, {"species": [{"element": "Ni", "occu": 1}], "abc": [0.75, 0.75, 0.5], "xyz": [9.077907045000002, 9.077907045, 6.0519380300000005], "label": "Ni", "properties": {"lmm": 0.0001, "soc": null, "ecc": null}}, {"species": [{"element": "Ni", "occu": 1}], "abc": [0.75, 0.0, 0.75], "xyz": [9.077907045, 0.0, 9.077907045], "label": "Ni", "properties": {"lmm": 0.0002, "soc": null, "ecc": null}}, {"species": [{"element": "Ni", "occu": 1}], "abc": [0.5, 0.75, 0.25], "xyz": [6.051938030000001, 9.077907045, 3.0259690150000007], "label": "Ni", "properties": {"lmm": 0.0001, "soc": null, "ecc": null}}, {"species": [{"element": "Ni", "occu": 1}], "abc": [0.5, 0.5, 0.0], "xyz": [6.0519380300000005, 6.05193803, 7.411486537077638e-16], "label": "Ni", "properties": {"lmm": -0.0004, "soc": null, "ecc": null}}, {"species": [{"element": "Ni", "occu": 1}], "abc": [0.75, 0.75, 0.0], "xyz": [9.077907045000002, 9.077907045, 1.1117229805616456e-15], "label": "Ni", "properties": {"lmm": 0.0002, "soc": null, "ecc": null}}, {"species": [{"element": "Ni", "occu": 1}], "abc": [0.75, 0.5, 0.75], "xyz": [9.077907045000002, 6.05193803, 9.077907045], "label": "Ni", "properties": {"lmm": 0.0001, "soc": null, "ecc": null}}, {"species": [{"element": "Ni", "occu": 1}], "abc": [0.5, 0.75, 0.75], "xyz": [6.051938030000001, 9.077907045, 9.077907045], "label": "Ni", "properties": {"lmm": 0.0001, "soc": null, "ecc": null}}, {"species": [{"element": "Ni", "occu": 1}], "abc": [0.75, 0.25, 0.0], "xyz": [9.077907045, 3.025969015, 7.411486537077638e-16], "label": "Ni", "properties": {"lmm": 0.0002, "soc": null, "ecc": null}}, {"species": [{"element": "Ni", "occu": 1}], "abc": [0.75, 0.5, 0.25], "xyz": [9.077907045000002, 6.05193803, 3.0259690150000007], "label": "Ni", "properties": {"lmm": 0.0001, "soc": null, "ecc": null}}, {"species": [{"element": "Ni", "occu": 1}], "abc": [0.5, 0.25, 0.75], "xyz": [6.0519380300000005, 3.025969015, 9.077907045], "label": "Ni", "properties": {"lmm": 0.0001, "soc": null, "ecc": null}}]}