{"1": { "calculator": "vasp", "calculator_parameters": {}, "cell": {"__ndarray__": [[3, 3], "float64", [9.278757828, 0.0, 0.0, 0.0, 9.278757828, 0.0, 0.0, 0.0, 20.0]]}, "ctime": 21.325505203488223, "energy": -50.38010932, "forces": {"__ndarray__": [[14, 3], "float64", [0.00019, 0.00019, 0.0, -0.00019, -0.00019, 0.0, -0.00019, 0.00019, 0.0, 0.00019, -0.00019, 0.0, 0.0, -0.0, 0.0, -0.0, 0.0, 0.0, 0.005371, -0.003217, 0.0, -0.005371, 0.003217, 0.0, 0.003217, 0.005371, 0.0, -0.003217, -0.005371, -0.0, -0.005371, -0.003217, -0.0, 0.005371, 0.003217, -0.0, -0.003217, 0.005371, 0.0, 0.003217, -0.005371, -0.0]]}, "free_energy": -50.43050204, "key_value_pairs": {"E": 0.2355586199999998, "Au_rate": 0.7142857142857143, "Si_rate": 0.2857142857142857}, "mtime": 24.98233017164833, "numbers": {"__ndarray__": [[14], "int32", [14, 14, 14, 14, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79]]}, "pbc": {"__ndarray__": [[3], "bool", [true, true, true]]}, "positions": {"__ndarray__": [[14, 3], "float64", [6.37004, 1.73066, 10.0, 2.90872, 7.5481, 10.0, 7.5481, 6.37004, 10.0, 1.73066, 2.90872, 10.0, 4.63938, 0.0, 10.0, 0.0, 4.63938, 10.0, 2.76217, 5.15157, 10.0, 6.51659, 4.12718, 10.0, 4.12718, 2.76217, 10.0, 5.15157, 6.51659, 10.0, 1.87721, 0.5122, 10.0, 7.40154, 8.76656, 10.0, 0.5122, 7.40154, 10.0, 8.76656, 1.87721, 10.0]]}, "stress": {"__ndarray__": [[6], "float64", [2.1633070630311374e-05, 2.1633070630311374e-05, 0.0005205418610986637, 0.0, -0.0, -0.0]]}, "unique_id": "9969fa0ce940779591148a1bf9cf9258", "user": "yangxb"}, "ids": [1], "nextid": 2}