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LaMnO3.json
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LaMnO3.json
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{"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[5.7461, 0.0, 3.518471486290303e-16], [-4.692662837312786e-16, 7.6637, 4.692662837312786e-16], [0.0, 0.0, 5.5333]], "a": 5.7461, "b": 7.6637, "c": 5.5333, "alpha": 90.0, "beta": 90.0, "gamma": 90.0, "volume": 243.666537807781}, "sites": [{"species": [{"element": "La", "occu": 1.0}], "abc": [0.0513, 0.25, 0.9905], "xyz": [0.2947749299999999, 1.915925, 5.48073365], "label": "La", "properties": {"magmom": 0.0}}, {"species": [{"element": "La", "occu": 1.0}], "abc": [0.9487, 0.75, 0.0095], "xyz": [5.45132507, 5.747775000000001, 0.05256635000000068], "label": "La", "properties": {"magmom": 0.0}}, {"species": [{"element": "La", "occu": 1.0}], "abc": [0.5513, 0.25, 0.5095], "xyz": [3.16782493, 1.915925, 2.81921635], "label": "La", "properties": {"magmom": 0.0}}, {"species": [{"element": "La", "occu": 1.0}], "abc": [0.4487, 0.75, 0.4905], "xyz": [2.5782750699999997, 5.747775000000001, 2.7140836500000005], "label": "La", "properties": {"magmom": 0.0}}, {"species": [{"element": "Mn", "occu": 1.0}], "abc": [0.0, 0.0, 0.5], "xyz": [0.0, 0.0, 2.76665], "label": "Mn", "properties": {"magmom": 3.87}}, {"species": [{"element": "Mn", "occu": 1.0}], "abc": [0.0, 0.5, 0.5], "xyz": [-2.346331418656393e-16, 3.83185, 2.7666500000000003], "label": "Mn", "properties": {"magmom": -3.87}}, {"species": [{"element": "Mn", "occu": 1.0}], "abc": [0.5, 0.5, 0.0], "xyz": [2.8730499999999997, 3.83185, 4.1055671618015446e-16], "label": "Mn", "properties": {"magmom": -3.87}}, {"species": [{"element": "Mn", "occu": 1.0}], "abc": [0.5, 0.0, 0.0], "xyz": [2.87305, 0.0, 1.7592357431451515e-16], "label": "Mn", "properties": {"magmom": 3.87}}, {"species": [{"element": "O", "occu": 1.0}], "abc": [0.48493, 0.25, 0.0777], "xyz": [2.786456273, 1.915925, 0.4299374100000003], "label": "O", "properties": {"magmom": 0.0}}, {"species": [{"element": "O", "occu": 1.0}], "abc": [0.5150699999999999, 0.75, 0.9223], "xyz": [2.959643726999999, 5.747775000000001, 5.103362590000001], "label": "O", "properties": {"magmom": 0.0}}, {"species": [{"element": "O", "occu": 1.0}], "abc": [0.9849300000000001, 0.25, 0.4223], "xyz": [5.659506273000001, 1.915925, 2.3367125900000003], "label": "O", "properties": {"magmom": 0.0}}, {"species": [{"element": "O", "occu": 1.0}], "abc": [0.015069999999999972, 0.75, 0.5777], "xyz": [0.0865937269999995, 5.747775000000001, 3.1965874100000002], "label": "O", "properties": {"magmom": 0.0}}, {"species": [{"element": "O", "occu": 1.0}], "abc": [0.3085, 0.0408, 0.7227], "xyz": [1.77267185, 0.31267896000000006, 3.99891591], "label": "O", "properties": {"magmom": 0.0}}, {"species": [{"element": "O", "occu": 1.0}], "abc": [0.6915, 0.5408, 0.2773], "xyz": [3.9734281499999997, 4.14452896, 1.5343840900000003], "label": "O", "properties": {"magmom": 0.0}}, {"species": [{"element": "O", "occu": 1.0}], "abc": [0.6915, 0.9592, 0.2773], "xyz": [3.9734281499999997, 7.351021040000001, 1.5343840900000005], "label": "O", "properties": {"magmom": 0.0}}, {"species": [{"element": "O", "occu": 1.0}], "abc": [0.3085, 0.4592, 0.7227], "xyz": [1.7726718499999998, 3.5191710400000003, 3.99891591], "label": "O", "properties": {"magmom": 0.0}}, {"species": [{"element": "O", "occu": 1.0}], "abc": [0.8085, 0.4592, 0.7773], "xyz": [4.64572185, 3.5191710400000003, 4.30103409], "label": "O", "properties": {"magmom": 0.0}}, {"species": [{"element": "O", "occu": 1.0}], "abc": [0.1915, 0.9592, 0.22270000000000012], "xyz": [1.1003781499999996, 7.351021040000001, 1.232265910000001], "label": "O", "properties": {"magmom": 0.0}}, {"species": [{"element": "O", "occu": 1.0}], "abc": [0.1915, 0.5408, 0.22270000000000012], "xyz": [1.1003781499999998, 4.14452896, 1.2322659100000009], "label": "O", "properties": {"magmom": 0.0}}, {"species": [{"element": "O", "occu": 1.0}], "abc": [0.8085, 0.0408, 0.7773], "xyz": [4.64572185, 0.31267896000000006, 4.30103409], "label": "O", "properties": {"magmom": 0.0}}]}