{"1": { "calculator": "vasp", "calculator_parameters": {}, "cell": {"__ndarray__": [[3, 3], "float64", [7.57235468, -0.0, 0.0, -0.0, 9.392019767, 0.0, 0.0, 0.0, 20.0]]}, "ctime": 21.325506946098898, "energy": -44.31726782, "forces": {"__ndarray__": [[12, 3], "float64", [0.034369, -0.017956, -0.0, -0.034369, 0.017956, 0.0, -0.034369, -0.017956, 0.0, 0.034369, 0.017956, -0.0, 0.013663, -0.015588, -0.0, -0.013663, 0.015588, 0.0, -0.013663, -0.015588, 0.0, 0.013663, 0.015588, -0.0, -0.005592, -0.017522, -0.0, 0.005592, 0.017522, 0.0, 0.005592, -0.017522, 0.0, -0.005592, 0.017522, -0.0]]}, "free_energy": -44.36889715, "key_value_pairs": {"E": 0.2470230150000002, "Au_rate": 0.6666666666666666, "Si_rate": 0.3333333333333333}, "mtime": 25.085593189970417, "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", [2.74185, 7.75998, 10.0, 4.83051, 1.63204, 10.0, 1.04433, 3.06397, 10.0, 6.52803, 6.32805, 10.0, 7.14327, 1.24564, 10.0, 0.42909, 8.14638, 10.0, 4.21527, 5.94165, 10.0, 3.35709, 3.45037, 10.0, 6.2533, 3.89525, 10.0, 1.31905, 5.49677, 10.0, 5.10523, 8.59126, 10.0, 2.46712, 0.80076, 10.0]]}, "stress": {"__ndarray__": [[6], "float64", [-5.5736676494137506e-06, -5.185445781783811e-05, 0.000538386335689564, -0.0, -0.0, -0.0]]}, "unique_id": "8300f40b49a5fa16f884dba0a970866e", "user": "yangxb"}, "ids": [1], "nextid": 2}