{"1": { "calculator": "vasp", "calculator_parameters": {}, "cell": {"__ndarray__": [[3, 3], "float64", [7.660319538, 0.0, 0.0, 0.0, 9.317176521, 0.0, 0.0, 0.0, 20.0]]}, "ctime": 21.325507104530868, "energy": -44.34766202, "forces": {"__ndarray__": [[12, 3], "float64", [-0.004335, 0.006697, 0.0, 0.004335, -0.006697, 0.0, 0.004335, 0.006697, 0.0, -0.004335, -0.006697, 0.0, -0.000984, 0.007713, -0.0, 0.000984, -0.007713, 0.0, 0.000984, 0.007713, 0.0, -0.000984, -0.007713, 0.0, -0.003716, 0.003442, 0.0, 0.003716, -0.003442, 0.0, 0.003716, 0.003442, -0.0, -0.003716, -0.003442, -0.0]]}, "free_energy": -44.39432732, "key_value_pairs": {"E": 0.2444901649999999, "Au_rate": 0.6666666666666666, "Si_rate": 0.3333333333333333}, "mtime": 25.583047145635202, "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", [6.68497, 6.26124, 10.0, 0.97535, 3.05594, 10.0, 4.8055, 1.60265, 10.0, 2.85481, 7.71453, 10.0, 6.2553, 3.82915, 10.0, 1.40502, 5.48803, 10.0, 5.23518, 8.48774, 10.0, 2.42514, 0.82944, 10.0, 0.50964, 8.09435, 10.0, 7.15068, 1.22283, 10.0, 3.32052, 3.43576, 10.0, 4.3398, 5.88142, 10.0]]}, "stress": {"__ndarray__": [[6], "float64", [-1.2277048450612369e-05, 8.138927900151768e-05, 0.0006399918627498176, -0.0, -0.0, -0.0]]}, "unique_id": "abbeed6ce2c1148c234cb3a7b98f0b6a", "user": "yangxb"}, "ids": [1], "nextid": 2}