{"1": { "calculator": "vasp", "calculator_parameters": {}, "cell": {"__ndarray__": [[3, 3], "float64", [13.516803113, 0.0, 0.0, -0.0, 5.33042223, 0.0, 0.0, 0.0, 20.0]]}, "ctime": 21.325505975352876, "energy": -43.97612834, "forces": {"__ndarray__": [[12, 3], "float64", [-0.000859, 0.005044, 0.0, 0.000859, 0.005044, -0.0, 0.000859, -0.005044, -0.0, -0.000859, -0.005044, 0.0, -0.005034, 0.004899, -0.0, 0.005034, 0.004899, -0.0, 0.005034, -0.004899, -0.0, -0.005034, -0.004899, 0.0, -0.0, 0.007246, 0.0, -0.0, -0.007246, -0.0, -0.0, 0.004606, 0.0, -0.0, -0.004606, -0.0]]}, "free_energy": -44.02430586, "key_value_pairs": {"E": 0.2754513049999998, "Au_rate": 0.6666666666666666, "Si_rate": 0.3333333333333333}, "mtime": 25.143814990614537, "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", [8.11174, 4.43516, 10.0, 12.16346, 4.43516, 10.0, 5.40506, 0.89527, 10.0, 1.35334, 0.89527, 10.0, 12.61574, 1.62309, 10.0, 7.65947, 1.62309, 10.0, 0.90107, 3.70733, 10.0, 5.85734, 3.70733, 10.0, 3.3792, 4.89218, 10.0, 10.1376, 0.43825, 10.0, 3.3792, 2.27272, 10.0, 10.1376, 3.0577, 10.0]]}, "stress": {"__ndarray__": [[6], "float64", [-1.5229282267155151e-05, 4.4895175142478275e-05, 0.0005081462239746596, -0.0, -0.0, 0.0]]}, "unique_id": "e94f6ad6e20c8e4060dae4e040644f2a", "user": "yangxb"}, "ids": [1], "nextid": 2}