{"1": { "calculator": "vasp", "calculator_parameters": {}, "cell": {"__ndarray__": [[3, 3], "float64", [8.083312003, 0.0, 0.0, 0.0, 8.89715801, 0.0, 0.0, 0.0, 20.0]]}, "ctime": 21.325506168534883, "energy": -43.75227529, "forces": {"__ndarray__": [[12, 3], "float64", [-0.009441, -0.002789, 0.0, 0.009441, -0.002789, 0.0, -0.001961, -0.003493, 0.0, 0.001961, -0.003493, -0.0, 0.007186, -0.001451, -0.0, -0.007186, -0.001451, -0.0, -0.006154, -0.000974, -0.0, 0.006154, -0.000974, 0.0, -0.006802, 0.006737, 0.0, 0.006802, 0.006737, -0.0, 0.003025, 0.001969, -0.0, -0.003025, 0.001969, -0.0]]}, "free_energy": -43.79936377, "key_value_pairs": {"E": 0.29410572583333333, "Au_rate": 0.6666666666666666, "Si_rate": 0.3333333333333333}, "mtime": 25.14353535164982, "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", [7.93297, 1.37211, 10.0, 0.15034, 5.82069, 10.0, 2.95641, 1.37127, 10.0, 5.12691, 5.81985, 10.0, 1.32332, 3.2357, 10.0, 6.75999, 7.68428, 10.0, 1.32054, 8.40285, 10.0, 6.76277, 3.95427, 10.0, 4.04178, 3.59884, 10.0, 4.04153, 8.04742, 10.0, 5.58821, 1.37461, 10.0, 2.4951, 5.82319, 10.0]]}, "stress": {"__ndarray__": [[6], "float64", [-1.2545433343025348e-06, 7.987883379305395e-05, 0.0005638329683957901, -0.0, -0.0, -0.0]]}, "unique_id": "ce5c7597c1f01c64b2a5ef91730ad70e", "user": "yangxb"}, "ids": [1], "nextid": 2}