{"1": {
 "calculator": "vasp",
 "calculator_parameters": {},
 "cell": {"__ndarray__": [[3, 3], "float64", [5.331244798, 0.0, 0.0, 0.0, 13.519063297, 0.0, 0.0, 0.0, 20.0]]},
 "ctime": 21.325505421174828,
 "energy": -43.97846443,
 "forces": {"__ndarray__": [[12, 3], "float64", [0.003306, 0.00783, 0.0, -0.003306, 0.00783, 0.0, 0.006153, -0.005394, 0.0, -0.006153, -0.005394, 0.0, 0.004357, 0.003081, 0.0, -0.004357, 0.003081, -0.0, -0.00233, -0.000342, 0.0, 0.00233, -0.000342, 0.0, -0.002545, -0.005317, -0.0, 0.002545, -0.005317, 0.0, -0.002802, 0.000142, 0.0, 0.002802, 0.000142, -0.0]]},
 "free_energy": -44.02670296,
 "key_value_pairs": {"E": 0.2752566308333331, "Au_rate": 0.6666666666666666, "Si_rate": 0.3333333333333333},
 "mtime": 25.58928490069398,
 "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", [4.43757, 1.08788, 10.0, 0.89367, 7.84741, 10.0, 4.43351, 10.55483, 10.0, 0.89773, 3.79529, 10.0, 3.0578, 12.58287, 10.0, 2.27344, 5.82334, 10.0, 4.89389, 5.81588, 10.0, 0.43735, 12.57541, 10.0, 1.62147, 1.53794, 10.0, 3.70977, 8.29747, 10.0, 1.62782, 10.1009, 10.0, 3.70342, 3.34137, 10.0]]},
 "stress": {"__ndarray__": [[6], "float64", [-3.3005100257670675e-05, 4.2904133731321516e-05, 0.0005786877601153922, -0.0, -0.0, -0.0]]},
 "unique_id": "b9ea50580755049f09f7611435a6fd9c",
 "user": "yangxb"},
"ids": [1],
"nextid": 2}