{"1": { "calculator": "vasp", "calculator_parameters": {}, "cell": {"__ndarray__": [[3, 3], "float64", [7.645133397, 0.0, 0.0, -0.0, 9.3255517, 0.0, 0.0, 0.0, 20.0]]}, "ctime": 21.32550703173099, "energy": -44.34556313, "forces": {"__ndarray__": [[12, 3], "float64", [-0.000772, -0.002673, -0.0, 0.000772, 0.002673, -0.0, -0.000772, 0.002673, -0.0, 0.000772, -0.002673, -0.0, 0.001115, 0.004818, -0.0, -0.001115, -0.004818, -0.0, 0.001115, -0.004818, -0.0, -0.001115, 0.004818, -0.0, -0.001388, -0.002982, 0.0, 0.001388, 0.002982, 0.0, -0.001388, 0.002982, -0.0, 0.001388, -0.002982, -0.0]]}, "free_energy": -44.39342, "key_value_pairs": {"E": 0.24466507249999983, "Au_rate": 0.6666666666666666, "Si_rate": 0.3333333333333333}, "mtime": 25.14340668568478, "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", [6.64692, 1.61942, 10.0, 0.99821, 7.70613, 10.0, 2.82435, 3.04335, 10.0, 4.82078, 6.2822, 10.0, 1.37573, 0.81535, 10.0, 6.26941, 8.51021, 10.0, 5.19829, 3.84743, 10.0, 2.44684, 5.47812, 10.0, 7.15339, 5.88839, 10.0, 0.49175, 3.43716, 10.0, 3.33082, 8.09994, 10.0, 4.31431, 1.22561, 10.0]]}, "stress": {"__ndarray__": [[6], "float64", [7.71388112867912e-05, -7.404926426947898e-05, 0.0005982361666976585, -0.0, -0.0, -0.0]]}, "unique_id": "8a5ba91e93a21d8423d1aa1ee679db41", "user": "yangxb"}, "ids": [1], "nextid": 2}