{"1": {
 "calculator": "vasp",
 "calculator_parameters": {},
 "cell": {"__ndarray__": [[3, 3], "float64", [10.467069638, -1e-08, 0.0, -5.233535337, 9.064748158, 0.0, 0.0, 0.0, 20.0]]},
 "ctime": 21.32550528142688,
 "energy": -59.68145065,
 "forces": {"__ndarray__": [[16, 3], "float64", [0.002806, 0.00486, 0.0, -0.005612, 0.0, 0.0, 0.002806, -0.00486, 0.0, -0.000671, 0.001163, -0.0, -0.000671, -0.001163, -0.0, 0.001343, -0.0, 0.0, -0.001531, 0.005738, 0.0, -0.004203, -0.004195, 0.0, 0.005734, -0.001543, 0.0, 0.005734, 0.001543, 0.0, -0.001531, -0.005738, 0.0, -0.004203, 0.004195, 0.0, 0.0, -0.0, -0.0, 0.000881, -0.001526, 0.0, 0.000881, 0.001526, -0.0, -0.001762, 0.0, 0.0]]},
 "free_energy": -59.74833862,
 "key_value_pairs": {"E": 0.302779959375, "Au_rate": 0.625, "Si_rate": 0.375},
 "mtime": 24.98226815938203,
 "numbers": {"__ndarray__": [[16], "int32", [14, 14, 14, 14, 14, 14, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79]]},
 "pbc": {"__ndarray__": [[3], "bool", [true, true, true]]},
 "positions": {"__ndarray__": [[16, 3], "float64", [1.2449, 2.15623, 10.0, 7.97727, -0.0, 10.0, -3.98864, 6.90852, 10.0, -2.51416, 4.35465, 10.0, 2.71938, 4.7101, 10.0, 5.02831, -0.0, 10.0, 0.37034, 4.46786, 10.0, 1.17908, 7.15155, 10.0, -1.54943, 6.51009, 10.0, 3.68411, 2.55466, 10.0, 5.60388, 4.59689, 10.0, 6.41262, 1.9132, 10.0, -0.0, 0.0, 10.0, -1.34122, 2.32307, 10.0, 3.89231, 6.74168, 10.0, 2.68244, -0.0, 10.0]]},
 "stress": {"__ndarray__": [[6], "float64", [-1.327568991075369e-05, -1.327568991075369e-05, 0.0005361144263677424, -0.0, -0.0, 0.0]]},
 "unique_id": "1c94167900c9c96fdcdbf6d51d67eb35",
 "user": "yangxb"},
"ids": [1],
"nextid": 2}