{"1": {
 "calculator": "vasp",
 "calculator_parameters": {},
 "cell": {"__ndarray__": [[3, 3], "float64", [8.972689149, 0.0, 0.0, 0.0, 14.966112604, 0.0, 0.0, 0.0, 20.0]]},
 "ctime": 21.325508029990846,
 "energy": -81.79407675,
 "forces": {"__ndarray__": [[22, 3], "float64", [-0.004059, -0.0, 0.0, 0.004059, 0.0, -0.0, -0.004059, -0.0, -0.0, 0.004059, 0.0, 0.0, 0.0, 0.001472, 0.0, -0.0, -0.001472, -0.0, 0.0, 0.001472, -0.0, -0.0, -0.001472, -0.0, 0.000728, 0.00365, -0.0, -0.000728, -0.00365, 0.0, 0.000728, -0.00365, -0.0, -0.000728, 0.00365, 0.0, 0.000728, 0.00365, -0.0, -0.000728, -0.00365, -0.0, 0.000728, -0.00365, 0.0, -0.000728, 0.00365, 0.0, 0.0, 0.0, -0.0, 0.0, 0.0, -0.0, -0.0, -0.005477, 0.0, 0.0, 0.005477, 0.0, -0.0, -0.005477, -0.0, 0.0, 0.005477, -0.0]]},
 "free_energy": -81.87086458,
 "key_value_pairs": {"E": 0.289664784090909, "Au_rate": 0.6363636363636364, "Si_rate": 0.36363636363636365},
 "mtime": 24.871519488316117,
 "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", [2.44732, 0.0, 10.0, 6.52536, 0.0, 10.0, 6.93367, 7.48306, 10.0, 2.03902, 7.48306, 10.0, 4.48634, 3.7164, 10.0, 4.48634, 11.24971, 10.0, 0.0, 11.19946, 10.0, 0.0, 3.76666, 10.0, 1.91193, 12.57087, 10.0, 7.06076, 2.39524, 10.0, 1.91193, 2.39524, 10.0, 7.06076, 12.57087, 10.0, 6.39827, 5.08781, 10.0, 2.57442, 9.8783, 10.0, 6.39827, 9.8783, 10.0, 2.57442, 5.08781, 10.0, -0.0, 0.0, 10.0, 4.48634, 7.48306, 10.0, 4.48634, 13.59234, 10.0, 4.48634, 1.37377, 10.0, 0.0, 6.10929, 10.0, 0.0, 8.85683, 10.0]]},
 "stress": {"__ndarray__": [[6], "float64", [-4.382163557282635e-05, -1.3893599314216132e-05, 0.0005032403978017154, -0.0, -0.0, -0.0]]},
 "unique_id": "19a1cffc4c5065057ff933f494815198",
 "user": "yangxb"},
"ids": [1],
"nextid": 2}