{"1": {
 "calculator": "vasp",
 "calculator_parameters": {},
 "cell": {"__ndarray__": [[3, 3], "float64", [7.650586058, 0.0, 0.0, 0.0, 9.323281914, 0.0, 0.0, 0.0, 20.0]]},
 "ctime": 21.325505496812422,
 "energy": -44.35065638,
 "forces": {"__ndarray__": [[12, 3], "float64", [-0.007503, -0.0051, 0.0, 0.007503, -0.0051, 0.0, 0.003714, -0.005571, 0.0, -0.003714, -0.005571, 0.0, -0.009525, 0.019255, -0.0, 0.009525, 0.019255, 0.0, 0.008722, -0.004677, -0.0, -0.008722, -0.004677, 0.0, -0.015927, 0.000846, 0.0, 0.015927, 0.000846, -0.0, -0.005408, -0.004753, -0.0, 0.005408, -0.004753, -0.0]]},
 "free_energy": -44.39795669,
 "key_value_pairs": {"E": 0.2442406350000003, "Au_rate": 0.6666666666666666, "Si_rate": 0.3333333333333333},
 "mtime": 25.583131494890335,
 "numbers": {"__ndarray__": [[12], "int32", [14, 14, 14, 14, 79, 79, 79, 79, 79, 79, 79, 79]]},
 "pbc": {"__ndarray__": [[3], "bool", [true, true, true]]},
 "positions": {"__ndarray__": [[12, 3], "float64", [6.71982, 1.89859, 10.0, 0.93076, 6.56023, 10.0, 2.89455, 0.45572, 10.0, 4.75604, 5.11736, 10.0, 2.41632, 4.7293, 10.0, 5.23427, 0.06766, 10.0, 0.51774, 8.99481, 10.0, 7.13285, 4.33317, 10.0, 6.24291, 6.94497, 10.0, 1.40768, 2.28333, 10.0, 3.30624, 7.34374, 10.0, 4.34435, 2.6821, 10.0]]},
 "stress": {"__ndarray__": [[6], "float64", [-4.751660897534925e-05, 8.853580695065402e-05, 0.0006403538702791188, -0.0, -0.0, -0.0]]},
 "unique_id": "45643f747d6935355ba85ea14238b52a",
 "user": "yangxb"},
"ids": [1],
"nextid": 2}