{"1": {
 "calculator": "vasp",
 "calculator_parameters": {},
 "cell": {"__ndarray__": [[3, 3], "float64", [7.64371883, -0.0, 0.0, 0.0, 9.32525069, 0.0, 0.0, 0.0, 20.0]]},
 "ctime": 21.32550631323325,
 "energy": -44.34471321,
 "forces": {"__ndarray__": [[12, 3], "float64", [0.007099, 0.002591, -0.0, -0.007099, -0.002591, 0.0, -0.007099, 0.002591, 0.0, 0.007099, -0.002591, -0.0, 0.005083, -8.9e-05, -0.0, -0.005083, 8.9e-05, -0.0, -0.005083, -8.9e-05, -0.0, 0.005083, 8.9e-05, 0.0, 0.009442, -0.002549, -0.0, -0.009442, 0.002549, 0.0, -0.009442, -0.002549, 0.0, 0.009442, 0.002549, 0.0]]},
 "free_energy": -44.39260293,
 "key_value_pairs": {"E": 0.24473589916666652, "Au_rate": 0.6666666666666666, "Si_rate": 0.3333333333333333},
 "mtime": 25.22042280604235,
 "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", [0.99747, 1.61461, 10.0, 6.64625, 7.71064, 10.0, 2.82439, 6.27724, 10.0, 4.81932, 3.04801, 10.0, 6.2646, 0.81811, 10.0, 1.37912, 8.50714, 10.0, 5.20098, 5.48074, 10.0, 2.44274, 3.84451, 10.0, 7.15286, 3.43632, 10.0, 0.49086, 5.88893, 10.0, 4.31272, 8.09894, 10.0, 3.331, 1.22631, 10.0]]},
 "stress": {"__ndarray__": [[6], "float64", [5.681021606378942e-05, -7.811872821955485e-05, 0.0006198505128005923, -0.0, -0.0, 0.0]]},
 "unique_id": "835a6119a1b7b8fdc855ecfa3cfa586b",
 "user": "yangxb"},
"ids": [1],
"nextid": 2}