{"1": { "calculator": "vasp", "calculator_parameters": {}, "cell": {"__ndarray__": [[3, 3], "float64", [9.312609139, -0.0, 0.0, -0.0, 7.662422633, 0.0, 0.0, 0.0, 20.0]]}, "ctime": 21.325506645995073, "energy": -44.32612422, "forces": {"__ndarray__": [[12, 3], "float64", [-0.003122, -0.003182, 0.0, 0.003122, 0.003182, -0.0, 0.003122, -0.003182, 0.0, -0.003122, 0.003182, -0.0, -0.004136, 0.003508, 0.0, 0.004136, -0.003508, 0.0, 0.004136, 0.003508, -0.0, -0.004136, -0.003508, -0.0, -0.002869, -0.004919, 0.0, 0.002869, 0.004919, -0.0, 0.002869, -0.004919, 0.0, -0.002869, 0.004919, 0.0]]}, "free_energy": -44.3726373, "key_value_pairs": {"E": 0.24628498166666693, "Au_rate": 0.6666666666666666, "Si_rate": 0.3333333333333333}, "mtime": 25.1435815827375, "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", [7.70548, 2.85224, 10.0, 1.60713, 4.81018, 10.0, 6.26343, 6.68345, 10.0, 3.04918, 0.97897, 10.0, 3.83194, 6.26243, 10.0, 5.48067, 1.39999, 10.0, 0.82437, 2.43122, 10.0, 8.48824, 5.2312, 10.0, 8.09085, 0.50916, 10.0, 1.22176, 7.15326, 10.0, 5.87806, 4.34037, 10.0, 3.43455, 3.32205, 10.0]]}, "stress": {"__ndarray__": [[6], "float64", [-5.960641215218512e-05, 7.340014732038711e-06, 0.0006145015394797103, -0.0, -0.0, 0.0]]}, "unique_id": "71e36de9efdb2fdf3aa102efdcda597b", "user": "yangxb"}, "ids": [1], "nextid": 2}