{"1": {
 "calculator": "vasp",
 "calculator_parameters": {},
 "cell": {"__ndarray__": [[3, 3], "float64", [8.088161645, 0.0, 0.0, 0.0, 8.890305718, 0.0, 0.0, 0.0, 20.0]]},
 "ctime": 21.325505406454873,
 "energy": -43.75431613,
 "forces": {"__ndarray__": [[12, 3], "float64", [0.002242, -0.005863, -0.0, -0.002242, -0.005863, 0.0, 0.001361, 0.001292, -0.0, -0.001361, 0.001292, 0.0, 0.000611, 0.003796, -0.0, -0.000611, 0.003796, 0.0, 0.004266, -0.002949, -0.0, -0.004266, -0.002949, 0.0, 0.005882, 0.002276, 0.0, -0.005882, 0.002276, -0.0, -0.003434, 0.001447, -0.0, 0.003434, 0.001447, -0.0]]},
 "free_energy": -43.80163511,
 "key_value_pairs": {"E": 0.2939356558333334, "Au_rate": 0.6666666666666666, "Si_rate": 0.3333333333333333},
 "mtime": 24.873439982444058,
 "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", [7.00456, 6.14428, 10.0, 1.0836, 1.69913, 10.0, 3.89107, 6.14074, 10.0, 4.1971, 1.69559, 10.0, 0.00189, 3.91679, 10.0, -0.00189, 8.36194, 10.0, 1.54814, 6.14058, 10.0, 6.54002, 1.69543, 10.0, 2.71698, 8.72706, 10.0, 5.37118, 4.28191, 10.0, 5.36112, 8.00684, 10.0, 2.72705, 3.56169, 10.0]]},
 "stress": {"__ndarray__": [[6], "float64", [-3.469654923078503e-05, 1.0598082495749771e-05, 0.0005421312411650939, -0.0, -0.0, -0.0]]},
 "unique_id": "821e695e8a83d6e497d20e2fd5d53f66",
 "user": "yangxb"},
"ids": [1],
"nextid": 2}