{"1": { "calculator": "vasp", "calculator_parameters": {}, "cell": {"__ndarray__": [[3, 3], "float64", [9.278121645, -0.0, 0.0, 0.0, 9.28194783, 0.0, 0.0, 0.0, 20.0]]}, "ctime": 21.32550783333275, "energy": -50.36079681, "forces": {"__ndarray__": [[14, 3], "float64", [0.002178, 0.002595, -0.0, -0.002178, -0.002595, -0.0, 0.002178, -0.002595, -0.0, -0.002178, 0.002595, -0.0, -0.0, 0.0, -0.0, -0.0, 0.0, -0.0, 0.009351, 0.003404, -0.0, -0.009351, -0.003404, 0.0, 0.009351, -0.003404, 0.0, -0.009351, 0.003404, 0.0, -0.000406, 0.001486, 0.0, 0.000406, -0.001486, -0.0, -0.000406, -0.001486, -0.0, 0.000406, 0.001486, 0.0]]}, "free_energy": -50.41102173, "key_value_pairs": {"E": 0.23693808500000024, "Au_rate": 0.7142857142857143, "Si_rate": 0.2857142857142857}, "mtime": 25.15751115143, "numbers": {"__ndarray__": [[14], "int32", [14, 14, 14, 14, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79]]}, "pbc": {"__ndarray__": [[3], "bool", [true, true, true]]}, "positions": {"__ndarray__": [[14, 3], "float64", [7.54652, 7.54876, 10.0, 1.7316, 1.73319, 10.0, 2.90746, 6.37417, 10.0, 6.37066, 2.90778, 10.0, 4.63906, 4.64097, 10.0, 0.0, 0.0, 10.0, 6.51407, 0.50931, 10.0, 2.76405, 8.77264, 10.0, 1.87501, 4.13166, 10.0, 7.40311, 5.15029, 10.0, 0.51065, 6.51976, 10.0, 8.76747, 2.76219, 10.0, 5.14971, 7.40316, 10.0, 4.12841, 1.87879, 10.0]]}, "stress": {"__ndarray__": [[6], "float64", [1.5397803013554e-05, -8.394829774312982e-06, 0.0005073036202426654, -0.0, -0.0, 0.0]]}, "unique_id": "d018278ce017a2534dd8af3ad09fea8b", "user": "yangxb"}, "ids": [1], "nextid": 2}