{"1": {
 "calculator": "vasp",
 "calculator_parameters": {},
 "cell": {"__ndarray__": [[3, 3], "float64", [8.972580968, 0.0, 0.0, 0.0, 14.96866572, 0.0, 0.0, 0.0, 20.0]]},
 "ctime": 21.325508012981253,
 "energy": -81.78759089,
 "forces": {"__ndarray__": [[22, 3], "float64", [0.0, 0.003649, -0.0, 0.0, -0.003649, 0.0, 0.0, 0.003649, -0.0, 0.0, -0.003649, 0.0, -0.003907, 0.0, -0.0, 0.003907, -0.0, -0.0, -0.003907, 0.0, -0.0, 0.003907, 0.0, -0.0, -0.000201, -0.00284, 0.0, 0.000201, 0.00284, -0.0, -0.000201, 0.00284, -0.0, 0.000201, -0.00284, -0.0, -0.000201, -0.00284, 0.0, 0.000201, 0.00284, 0.0, -0.000201, 0.00284, 0.0, 0.000201, -0.00284, 0.0, -0.0, 0.00121, -0.0, 0.0, -0.00121, 0.0, 0.0, 0.00121, -0.0, -0.0, -0.00121, 0.0, -0.0, 0.0, -0.0, -0.0, -0.0, -0.0]]},
 "free_energy": -81.86452053,
 "key_value_pairs": {"E": 0.28995959590909076, "Au_rate": 0.6363636363636364, "Si_rate": 0.36363636363636365},
 "mtime": 24.982334211199593,
 "numbers": {"__ndarray__": [[22], "int32", [14, 14, 14, 14, 14, 14, 14, 14, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79]]},
 "pbc": {"__ndarray__": [[3], "bool", [true, true, true]]},
 "positions": {"__ndarray__": [[22, 3], "float64", [-0.0, 3.71667, 9.99986, -0.0, 11.252, 9.99986, 4.48629, 11.201, 9.99986, 4.48629, 3.76767, 9.99986, 2.03955, -0.0, 9.99986, 6.93303, -0.0, 9.99986, 6.52584, 7.48433, 9.99986, 2.44674, 7.48433, 9.99986, 6.39827, 2.39573, 9.99986, 2.57431, 12.57293, 9.99986, 6.39827, 12.57293, 9.99986, 2.57431, 2.39573, 9.99986, 1.91198, 9.88007, 9.99986, 7.0606, 5.0886, 9.99986, 1.91198, 5.0886, 9.99986, 7.0606, 9.88007, 9.99986, -0.0, 1.37389, 9.99986, -0.0, 13.59478, 9.99986, 4.48629, 8.85822, 9.99986, 4.48629, 6.11044, 9.99986, -0.0, 7.48433, 9.99986, 4.48629, -0.0, 9.99986]]},
 "stress": {"__ndarray__": [[6], "float64", [-2.583984778115669e-05, 3.374159833452489e-05, 0.0004933039152733091, -0.0, -0.0, -0.0]]},
 "unique_id": "99ffc191abb0be9031b4d71860357e09",
 "user": "yangxb"},
"ids": [1],
"nextid": 2}