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magnetic_deformation.json
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magnetic_deformation.json
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[{"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[2.55216661, -7e-08, 1.47349375], [0.85072275, 2.40620532, 1.47349375], [-4e-08, -3e-08, 2.94698665]], "a": 2.9469879939504264, "b": 2.9469877961493034, "c": 2.94698665, "alpha": 60.00000413339152, "beta": 60.00000632224507, "gamma": 59.999992130808586, "volume": 18.097554078861833}, "sites": [{"species": [{"element": "Mn", "occu": 1}], "abc": [-0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Mn", "properties": {"magmom": 0}}, {"species": [{"element": "O", "occu": 1}], "abc": [0.5, 0.5, 0.5], "xyz": [1.70144466, 1.2031026100000002, 2.946987075], "label": "O", "properties": {"magmom": 0}}]}, {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[2.764903, 0.0, 1.596317], [0.921635, 2.606775, 1.596317], [0.0, 0.0, 3.192633]], "a": 3.192634736999834, "b": 3.1926344824202784, "c": 3.192633, "alpha": 60.00000499848449, "beta": 60.000007636250096, "gamma": 59.99999048890673, "volume": 23.01083855174868}, "sites": [{"species": [{"element": "Mn", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Mn", "properties": {"magmom": 5}}, {"species": [{"element": "O", "occu": 1}], "abc": [0.5, 0.5, 0.5], "xyz": [1.8432689999999998, 1.3033875, 3.1926335], "label": "O", "properties": {"magmom": 0}}]}]