{"1": {
 "calculator": "vasp",
 "calculator_parameters": {},
 "cell": {"__ndarray__": [[3, 3], "float64", [13.515933886, -0.0, 0.0, 0.0, 5.330061355, 0.0, 0.0, 0.0, 20.0]]},
 "ctime": 21.325505960146167,
 "energy": -43.98209569,
 "forces": {"__ndarray__": [[12, 3], "float64", [-0.003041, 0.000802, 0.0, -0.003041, -0.000802, 0.0, 0.003041, 0.000802, 0.0, 0.003041, -0.000802, -0.0, 0.0, 0.005436, -0.0, -0.0, -0.005436, 0.0, -0.0, -0.007485, -0.0, 0.0, 0.007485, 0.0, -0.002693, 0.000641, -0.0, -0.002693, -0.000641, 0.0, 0.002693, 0.000641, -0.0, 0.002693, -0.000641, -0.0]]},
 "free_energy": -44.03022242,
 "key_value_pairs": {"E": 0.2749540258333332, "Au_rate": 0.6666666666666666, "Si_rate": 0.3333333333333333},
 "mtime": 25.143555407917326,
 "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", [12.16406, 1.77228, 10.00002, 5.40609, 3.55778, 9.99998, 8.10984, 1.77228, 9.99998, 1.35188, 3.55778, 10.00002, 3.37898, 4.93469, 10.0, 10.13695, 0.39537, 10.0, 10.13695, 3.10563, 10.0, 3.37898, 2.22444, 10.0, 5.85612, 1.03935, 10.00002, 12.61409, 4.29071, 9.99998, 0.90185, 1.03935, 9.99998, 7.65981, 4.29071, 10.00002]]},
 "stress": {"__ndarray__": [[6], "float64", [5.505011049029033e-06, -1.9766859401672277e-05, 0.0005734261679222726, -0.0, -0.0, -0.0]]},
 "unique_id": "e480cfa6f812e2196594126532861ba8",
 "user": "yangxb"},
"ids": [1],
"nextid": 2}