{"1": { "calculator": "vasp", "calculator_parameters": {}, "cell": {"__ndarray__": [[3, 3], "float64", [9.328875713, -0.0, 0.0, -0.0, 7.64147281, 0.0, 0.0, 0.0, 20.0]]}, "ctime": 21.32550628602469, "energy": -44.34395273, "forces": {"__ndarray__": [[12, 3], "float64", [0.000562, 0.007428, 0.0, -0.000562, -0.007428, -0.0, 0.000562, -0.007428, -0.0, -0.000562, 0.007428, 0.0, 0.002181, 0.00682, 0.0, -0.002181, -0.00682, -0.0, 0.002181, -0.00682, -0.0, -0.002181, 0.00682, 0.0, 0.004959, -0.001162, -0.0, -0.004959, 0.001162, 0.0, 0.004959, 0.001162, 0.0, -0.004959, -0.001162, -0.0]]}, "free_energy": -44.39192767, "key_value_pairs": {"E": 0.2447992725000002, "Au_rate": 0.6666666666666666, "Si_rate": 0.3333333333333333}, "mtime": 25.143561613385277, "numbers": {"__ndarray__": [[12], "int32", [14, 14, 14, 14, 79, 79, 79, 79, 79, 79, 79, 79]]}, "pbc": {"__ndarray__": [[3], "bool", [true, true, true]]}, "positions": {"__ndarray__": [[12, 3], "float64", [1.6139, 4.81406, 10.0, 7.71498, 2.82741, 10.0, 6.27834, 6.64815, 10.0, 3.05054, 0.99333, 10.0, 3.43776, 3.32802, 10.0, 5.89112, 4.31346, 10.0, 8.1022, 0.49272, 10.0, 1.22668, 7.14875, 10.0, 5.48343, 1.38108, 10.0, 3.84544, 6.26039, 10.0, 0.81899, 2.43965, 10.0, 8.50988, 5.20182, 10.0]]}, "stress": {"__ndarray__": [[6], "float64", [-1.537907848617635e-05, 4.369056388118281e-05, 0.000591314333077054, -0.0, -0.0, -0.0]]}, "unique_id": "a28d542f28b5531650312c4b3ea91fcf", "user": "yangxb"}, "ids": [1], "nextid": 2}