{"1": { "calculator": "vasp", "calculator_parameters": {}, "cell": {"__ndarray__": [[3, 3], "float64", [9.315850953, 0.0, 0.0, 0.0, 7.659863351, 0.0, 0.0, 0.0, 20.0]]}, "ctime": 21.32550552013435, "energy": -44.34901744, "forces": {"__ndarray__": [[12, 3], "float64", [-0.000741, -0.000601, 0.0, 0.000741, -0.000601, 0.0, 0.002358, -0.003137, 0.0, -0.002358, -0.003137, 0.0, -0.002669, -0.010095, -0.0, 0.002669, -0.010095, -0.0, -0.000977, 9e-06, 0.0, 0.000977, 9e-06, -0.0, 0.001623, 0.01459, -0.0, -0.001623, 0.01459, 0.0, 0.002599, -0.000766, -0.0, -0.002599, -0.000766, 0.0]]}, "free_energy": -44.39567595, "key_value_pairs": {"E": 0.2443772133333336, "Au_rate": 0.6666666666666666, "Si_rate": 0.3333333333333333}, "mtime": 25.417425878571077, "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", [3.93552, 4.55441, 10.0, 5.38033, 0.72448, 10.0, 8.59273, 2.67999, 10.0, 0.72312, 6.50992, 10.0, 5.76445, 6.04148, 10.0, 3.5514, 2.21155, 10.0, 1.10644, 1.19382, 10.0, 8.20941, 5.02375, 10.0, 7.81337, 0.29881, 10.0, 1.50249, 4.12874, 10.0, 3.1543, 6.93257, 10.0, 6.16155, 3.10264, 10.0]]}, "stress": {"__ndarray__": [[6], "float64", [4.304144693209094e-05, 1.0760361733022736e-05, 0.0006385251081052351, -0.0, -0.0, -0.0]]}, "unique_id": "998ce1adaa6ae7d9ed928f2863444d55", "user": "yangxb"}, "ids": [1], "nextid": 2}