{"1": {
 "calculator": "vasp",
 "calculator_parameters": {},
 "cell": {"__ndarray__": [[3, 3], "float64", [8.087407107, 0.0, 0.0, 0.0, 8.89009039, 0.0, 0.0, 0.0, 20.0]]},
 "ctime": 21.32550535398087,
 "energy": -43.74872233,
 "forces": {"__ndarray__": [[12, 3], "float64", [0.001608, -0.002489, -0.0, -0.001608, -0.002489, 0.0, 0.007872, 0.003425, -0.0, -0.007872, 0.003425, -0.0, -0.002508, -0.000405, 0.0, 0.002508, -0.000405, 0.0, -0.001933, 0.005637, -0.0, 0.001933, 0.005637, -0.0, 0.00573, 0.001641, 0.0, -0.00573, 0.001641, 0.0, -0.000687, -0.00781, 0.0, 0.000687, -0.00781, -0.0]]},
 "free_energy": -43.79605981,
 "key_value_pairs": {"E": 0.29440180583333336, "Au_rate": 0.6666666666666666, "Si_rate": 0.3333333333333333},
 "mtime": 24.982317166204393,
 "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", [5.12935, 0.83307, 10.0, 2.95805, 5.27811, 10.0, 7.93319, 5.27493, 10.0, 0.15422, 0.82988, 10.0, 2.4964, 0.83021, 10.0, 5.59101, 5.27526, 10.0, 6.77003, 2.69607, 10.0, 1.31737, 7.14112, 10.0, 4.045, 3.05167, 10.0, 4.04241, 7.49672, 10.0, 6.76119, 7.86149, 10.0, 1.32622, 3.41644, 10.0]]},
 "stress": {"__ndarray__": [[6], "float64", [-5.149245028853688e-06, -5.7459333012881275e-05, 0.0005141255897172558, -0.0, -0.0, -0.0]]},
 "unique_id": "d4c89c8d9e3c1e25a233d2b57fd2e27c",
 "user": "yangxb"},
"ids": [1],
"nextid": 2}