{"1": { "calculator": "vasp", "calculator_parameters": {}, "cell": {"__ndarray__": [[3, 3], "float64", [7.466377569, -0.0, 0.0, 0.0, 11.498363034, 0.0, 0.0, 0.0, 20.0]]}, "ctime": 21.325507568949728, "energy": -50.02947191, "forces": {"__ndarray__": [[14, 3], "float64", [-7.7e-05, 0.001669, -0.0, 7.7e-05, -0.001669, 0.0, 7.7e-05, 0.001669, -0.0, -7.7e-05, -0.001669, 0.0, -0.005964, 0.000399, 0.0, 0.005964, -0.000399, -0.0, 0.005964, 0.000399, 0.0, -0.005964, -0.000399, 0.0, -0.003573, -0.004794, -0.0, 0.003573, 0.004794, -0.0, 0.003573, -0.004794, 0.0, -0.003573, 0.004794, 0.0, 0.0, -0.0, 0.0, 0.0, -0.0, 0.0]]}, "free_energy": -50.09704331, "key_value_pairs": {"E": 0.2606041492857144, "Au_rate": 0.7142857142857143, "Si_rate": 0.2857142857142857}, "mtime": 25.136283811625177, "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", [3.73711, 8.12353, 10.0, 3.72926, 3.37483, 10.0, 7.46245, 2.37435, 10.0, 0.00393, 9.12401, 10.0, 1.39068, 7.16653, 10.0, 6.0757, 4.33184, 10.0, 2.34251, 1.41735, 10.0, 5.12387, 10.08102, 10.0, 1.38083, 4.34016, 10.0, 6.08555, 7.1582, 10.0, 2.35236, 10.08934, 10.0, 5.11402, 1.40902, 10.0, 0.0, 0.0, 10.0, 3.73319, 5.74918, 10.0]]}, "stress": {"__ndarray__": [[6], "float64", [2.8480006141405308e-05, -2.0472149932897088e-05, 0.0004915188436633066, -0.0, -0.0, 0.0]]}, "unique_id": "f860e09b92e0bdc4cc2490784952ccf5", "user": "yangxb"}, "ids": [1], "nextid": 2}