{"1": {
 "calculator": "vasp",
 "calculator_parameters": {},
 "cell": {"__ndarray__": [[3, 3], "float64", [11.502482053, 3.1e-08, 0.0, 2.1e-08, 7.463122174, 0.0, 0.0, 0.0, 20.0]]},
 "ctime": 21.325505855280532,
 "energy": -50.01819248,
 "forces": {"__ndarray__": [[14, 3], "float64", [0.004189, 0.004369, -4.9e-05, -0.004189, 0.004369, 4.4e-05, -0.004189, 0.004369, -5.6e-05, 0.004189, 0.004369, 5.1e-05, 0.000229, -0.001429, 2e-05, -0.000229, -0.001429, -1.4e-05, -0.000229, -0.001429, 3.4e-05, 0.000229, -0.001429, -2.7e-05, -0.006904, 0.000845, 2.1e-05, 0.006904, 0.000845, -2e-05, 0.006904, 0.000845, 3.7e-05, -0.006904, 0.000845, -3.6e-05, 0.0, -0.007569, -3e-06, 0.0, -0.007569, -3e-06]]},
 "free_energy": -50.08561735,
 "key_value_pairs": {"E": 0.2614098228571426, "Au_rate": 0.7142857142857143, "Si_rate": 0.2857142857142857},
 "mtime": 25.143493808912634,
 "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", [3.37634, 4.00538, 10.0, 8.12615, 4.00538, 10.0, 2.3749, 0.27382, 9.99999, 9.12758, 0.27382, 10.0, 10.08899, 2.62254, 10.00005, 1.41349, 2.62254, 9.99996, 7.16473, 6.3541, 10.00005, 4.33775, 6.3541, 9.99995, 10.09092, 5.39145, 10.00005, 1.41156, 5.39145, 9.99996, 7.1628, 1.65989, 10.00005, 4.33968, 1.65989, 9.99995, -0.0, 0.27772, 10.0, 5.75124, 4.00928, 10.0]]},
 "stress": {"__ndarray__": [[6], "float64", [4.123765079471069e-05, -4.2460986583383806e-05, 0.0005135513708776745, 0.0, 0.0, 0.0]]},
 "unique_id": "4633ee0951b95ec9ab4932dd28e662f0",
 "user": "yangxb"},
"ids": [1],
"nextid": 2}