{"1": { "calculator": "vasp", "calculator_parameters": {}, "cell": {"__ndarray__": [[3, 3], "float64", [7.66116012, -0.0, 0.0, 0.0, 9.314445982, 0.0, 0.0, 0.0, 20.0]]}, "ctime": 21.32550646467904, "energy": -44.35352506, "forces": {"__ndarray__": [[12, 3], "float64", [-0.002624, 0.003741, 0.0, 0.002624, -0.003741, -0.0, -0.002624, -0.003741, 0.0, 0.002624, 0.003741, -0.0, 0.000936, -0.008946, 0.0, -0.000936, 0.008946, -0.0, 0.000936, 0.008946, 0.0, -0.000936, -0.008946, -0.0, 0.004226, 0.001881, 0.0, -0.004226, -0.001881, -0.0, 0.004226, -0.001881, 0.0, -0.004226, 0.001881, -0.0]]}, "free_energy": -44.40003816, "key_value_pairs": {"E": 0.24400157833333314, "Au_rate": 0.6666666666666666, "Si_rate": 0.3333333333333333}, "mtime": 25.143655708606055, "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", [4.80572, 6.2602, 10.0, 2.85544, 3.05425, 10.0, 0.97514, 7.71147, 10.0, 6.68602, 1.60298, 10.0, 2.42484, 5.48693, 10.0, 5.23632, 3.82752, 10.0, 6.25542, 8.48474, 10.0, 1.40574, 0.8297, 10.0, 3.31979, 8.09247, 10.0, 4.34137, 1.22198, 10.0, 7.15037, 5.8792, 10.0, 0.51079, 3.43525, 10.0]]}, "stress": {"__ndarray__": [[6], "float64", [-3.307375685805539e-05, 5.852038956428143e-05, 0.0006229775088726599, -0.0, -0.0, -0.0]]}, "unique_id": "894d0aaea2eb1e729395e9d489e48dee", "user": "yangxb"}, "ids": [1], "nextid": 2}