{"1": {
 "calculator": "vasp",
 "calculator_parameters": {},
 "cell": {"__ndarray__": [[3, 3], "float64", [11.501822585, 0.0, 0.0, 0.0, 7.463226495, 0.0, 0.0, 0.0, 20.0]]},
 "ctime": 21.325507927101864,
 "energy": -50.04035237,
 "forces": {"__ndarray__": [[14, 3], "float64", [0.003914, 0.008318, 0.0, -0.003914, 0.008318, -0.0, 0.003914, 0.008318, -0.0, -0.003914, 0.008318, 0.0, -0.002927, -0.005054, -0.0, 0.002927, -0.005054, -0.0, -0.002927, -0.005054, -0.0, 0.002927, -0.005054, -0.0, -0.0, 0.00181, -0.0, -0.0, 0.00181, -0.0, -0.009084, -0.004169, 0.0, 0.009084, -0.004169, -0.0, -0.009084, -0.004169, 0.0, 0.009084, -0.004169, 0.0]]},
 "free_energy": -50.10783882,
 "key_value_pairs": {"E": 0.25982697357142853, "Au_rate": 0.7142857142857143, "Si_rate": 0.2857142857142857},
 "mtime": 24.982279498144518,
 "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", [3.37684, 6.46958, 10.0, 2.37408, 2.73797, 10.0, 9.12775, 2.73797, 10.0, 8.12499, 6.46958, 10.0, 7.16482, 4.12327, 10.0, 10.08791, 0.39166, 10.0, 1.41391, 0.39166, 10.0, 4.337, 4.12327, 10.0, 5.75091, 6.47015, 10.0, 0.0, 2.73854, 10.0, 1.41375, 5.08559, 10.0, 4.33716, 1.35398, 10.0, 7.16466, 1.35398, 10.0, 10.08807, 5.08559, 10.0]]},
 "stress": {"__ndarray__": [[6], "float64", [2.8792081597699468e-05, -2.618937229220615e-05, 0.0006018375174632932, -0.0, -0.0, -0.0]]},
 "unique_id": "f6ec052e6f741bb7b5e1246fe3cf9148",
 "user": "yangxb"},
"ids": [1],
"nextid": 2}