{"1": { "calculator": "vasp", "calculator_parameters": {}, "cell": {"__ndarray__": [[3, 3], "float64", [7.663897515, 0.0, 0.0, -0.0, 9.310778404, 0.0, 0.0, 0.0, 20.0]]}, "ctime": 21.325506601787488, "energy": -44.35676473, "forces": {"__ndarray__": [[12, 3], "float64", [0.001448, 0.006702, 0.0, -0.001448, -0.006702, -0.0, 0.001448, -0.006702, 0.0, -0.001448, 0.006702, -0.0, 0.001061, -0.002693, -0.0, -0.001061, 0.002693, -0.0, 0.001061, 0.002693, -0.0, -0.001061, -0.002693, 0.0, 0.002971, -0.005254, 0.0, -0.002971, 0.005254, 0.0, 0.002971, 0.005254, 0.0, -0.002971, -0.005254, -0.0]]}, "free_energy": -44.40309233, "key_value_pairs": {"E": 0.2437316058333332, "Au_rate": 0.6666666666666666, "Si_rate": 0.3333333333333333}, "mtime": 24.88209908228571, "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", [4.80828, 1.60327, 10.0, 2.85561, 7.70751, 10.0, 0.97634, 3.05212, 10.0, 6.68756, 6.25866, 10.0, 5.23709, 8.48432, 10.0, 2.4268, 0.82645, 10.0, 1.40514, 5.48184, 10.0, 6.25875, 3.82893, 10.0, 7.15351, 1.22244, 10.0, 0.51038, 8.08833, 10.0, 3.32156, 3.43294, 10.0, 4.34233, 5.87783, 10.0]]}, "stress": {"__ndarray__": [[6], "float64", [4.2361122437369674e-05, -2.8149206157733494e-06, 0.0005801233072143453, -0.0, -0.0, -0.0]]}, "unique_id": "23aa814097bc0d09c1a01ab150ad020f", "user": "yangxb"}, "ids": [1], "nextid": 2}