Mg2Mo6S8.json

{
    "task": "ocv",
    "inputs": {
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            "elements":["Mg","Mo","S"],
            "chemical_formula_descriptive":"Mg2Mo6S8",
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                {"name":"S","chemical_symbols":["S"],"mass":[32.065]}
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            "assemblies":null,
            "structure_features":[]
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        "protocol": "default", 
        "engine": 
        {
            "name": "pw-qe-7-sirius@daint_gpu", 
            "description": "Quantum ESPRESSO v7.0 running on the GPU node of piz-daint cluster over SIRIUS library" 
        },
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        "spin_orbit": false,
        "magnetization_per_site": [0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0],
        "kpoints_mesh": {
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            "offset": [0.0, 0.0, 0.0] 
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        "kpoints_distance": 0.15, 
        "volume_change_stability_threshold": 0.1, 
        "cation": "Mg", 
        "supercell_distance": 8.0, 
        "bulk_cation_structure": {
            "immutable_id":null,
            "elements":["Mg"],
            "chemical_formula_descriptive":"Mg9",
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            "structure_features":[]
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    "meta": {} 
}