{"1": {
 "calculator": "vasp",
 "calculator_parameters": {},
 "cell": {"__ndarray__": [[3, 3], "float64", [7.661912551, 0.0, 0.0, -0.0, 9.311651548, 0.0, 0.0, 0.0, 20.0]]},
 "ctime": 21.325506853998853,
 "energy": -44.34400936,
 "forces": {"__ndarray__": [[12, 3], "float64", [0.006396, 0.005137, -0.0, -0.006396, -0.005137, 0.0, -0.006396, 0.005137, 0.0, 0.006396, -0.005137, -0.0, -0.002737, -5e-06, 0.0, 0.002737, 5e-06, -0.0, 0.002737, -5e-06, -0.0, -0.002737, 5e-06, 0.0, 0.000731, -0.009018, 0.0, -0.000731, 0.009018, 0.0, -0.000731, -0.009018, -0.0, 0.000731, 0.009018, -0.0]]},
 "free_energy": -44.39041796,
 "key_value_pairs": {"E": 0.24479455333333325, "Au_rate": 0.6666666666666666, "Si_rate": 0.3333333333333333},
 "mtime": 25.145258408873328,
 "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", [4.80544, 6.25742, 10.0, 2.85647, 3.05423, 10.0, 6.68743, 1.60159, 10.0, 0.97448, 7.71006, 10.0, 7.15149, 5.87729, 10.0, 0.51042, 3.43437, 10.0, 4.34138, 1.22146, 10.0, 3.32054, 8.09019, 10.0, 1.40666, 0.83029, 10.0, 6.25526, 8.48137, 10.0, 2.42429, 5.48611, 10.0, 5.23761, 3.82554, 10.0]]},
 "stress": {"__ndarray__": [[6], "float64", [-5.5923921767914e-05, -8.230678084302252e-05, 0.0006336504894779201, -0.0, -0.0, -0.0]]},
 "unique_id": "f5ea11ecedaa84a211e4305640ea9d40",
 "user": "yangxb"},
"ids": [1],
"nextid": 2}