{"1": {
 "calculator": "vasp",
 "calculator_parameters": {},
 "cell": {"__ndarray__": [[3, 3], "float64", [11.49974672, 0.0, 0.0, 0.0, 7.464376939, 0.0, 0.0, 0.0, 20.0]]},
 "ctime": 21.32550791078786,
 "energy": -50.03835956,
 "forces": {"__ndarray__": [[14, 3], "float64", [-0.002618, 0.003789, 0.0, 0.002618, 0.003789, -0.0, -0.002618, 0.003789, -0.0, 0.002618, 0.003789, 0.0, 0.001242, -0.004513, 0.0, -0.001242, -0.004513, -0.0, 0.001242, -0.004513, -0.0, -0.001242, -0.004513, -0.0, -0.0, -0.004151, 0.0, -0.0, -0.004151, 0.0, 0.001827, 0.002799, 0.0, -0.001827, 0.002799, 0.0, 0.001827, 0.002799, -0.0, -0.001827, 0.002799, 0.0]]},
 "free_energy": -50.10583757,
 "key_value_pairs": {"E": 0.25996931714285687, "Au_rate": 0.7142857142857143, "Si_rate": 0.2857142857142857},
 "mtime": 25.586350629582277,
 "numbers": {"__ndarray__": [[14], "int32", [14, 14, 14, 14, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79]]},
 "pbc": {"__ndarray__": [[3], "bool", [true, true, true]]},
 "positions": {"__ndarray__": [[14, 3], "float64", [2.37414, 0.19204, 9.99998, 3.37574, 3.92423, 10.00002, 8.12401, 3.92423, 10.00002, 9.12561, 0.19204, 9.99998, 1.41217, 2.53898, 9.99998, 4.33771, 6.27117, 10.00002, 7.16204, 6.27117, 10.00002, 10.08758, 2.53898, 9.99998, 5.74987, 3.92316, 9.99998, 0.0, 0.19097, 10.00002, 10.08661, 5.30823, 9.99998, 7.16301, 1.57605, 10.00002, 4.33674, 1.57605, 10.00002, 1.41313, 5.30823, 9.99998]]},
 "stress": {"__ndarray__": [[6], "float64", [7.945441117249388e-06, -4.1924216798557846e-05, 0.0005575540102151515, -0.0, -0.0, -0.0]]},
 "unique_id": "452db1e5a299bc17eb675f0660754b9e",
 "user": "yangxb"},
"ids": [1],
"nextid": 2}