{"1": { "calculator": "vasp", "calculator_parameters": {}, "cell": {"__ndarray__": [[3, 3], "float64", [7.666377207, 0.0, 0.0, -0.0, 9.308129683, 0.0, 0.0, 0.0, 20.0]]}, "ctime": 21.32550649437663, "energy": -44.35252506, "forces": {"__ndarray__": [[12, 3], "float64", [-0.007078, 0.00092, -0.0, 0.007078, -0.00092, -0.0, 0.007078, 0.00092, -0.0, -0.007078, -0.00092, -0.0, -0.011052, 0.016893, 0.0, 0.011052, -0.016893, -0.0, 0.011052, 0.016893, -0.0, -0.011052, -0.016893, 0.0, 0.0078, 0.01575, -0.0, -0.0078, -0.01575, 0.0, -0.0078, 0.01575, 0.0, 0.0078, -0.01575, 0.0]]}, "free_energy": -44.39866284, "key_value_pairs": {"E": 0.24408491166666688, "Au_rate": 0.6666666666666666, "Si_rate": 0.3333333333333333}, "mtime": 25.1435560007191, "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", [6.69041, 7.70331, 10.0, 0.97597, 1.60482, 10.0, 4.80916, 3.04924, 10.0, 2.85722, 6.25889, 10.0, 4.34584, 8.08724, 10.0, 3.32054, 1.22089, 10.0, 7.15373, 3.43318, 10.0, 0.51265, 5.87495, 10.0, 1.4038, 8.48037, 10.0, 6.26258, 0.82776, 10.0, 2.42939, 3.82631, 10.0, 5.23699, 5.48182, 10.0]]}, "stress": {"__ndarray__": [[6], "float64", [4.297903184083212e-05, -5.97998989350875e-05, 0.0006225343617247221, -0.0, -0.0, -0.0]]}, "unique_id": "e6ee69cdefcb8fbbe4c5db0247f9a060", "user": "yangxb"}, "ids": [1], "nextid": 2}