{"1": {
 "calculator": "vasp",
 "calculator_parameters": {},
 "cell": {"__ndarray__": [[3, 3], "float64", [8.890479971, -0.0, 0.0, 0.0, 8.087442743, 0.0, 0.0, 0.0, 20.0]]},
 "ctime": 21.325506180388654,
 "energy": -43.75491785,
 "forces": {"__ndarray__": [[12, 3], "float64", [-0.0, 0.001149, 0.0, -0.0, -0.001149, 0.0, -0.0, -0.005903, -0.0, -0.0, 0.005903, -0.0, 0.003508, 0.001973, 0.0, -0.003508, 0.001973, -0.0, -0.003508, -0.001973, 0.0, 0.003508, -0.001973, 0.0, -0.0, -0.0, 0.0, -0.0, -0.0, 0.0, -0.0, 0.007395, 0.0, -0.0, -0.007395, -0.0]]},
 "free_energy": -43.80225666,
 "key_value_pairs": {"E": 0.29388551250000017, "Au_rate": 0.6666666666666666, "Si_rate": 0.3333333333333333},
 "mtime": 25.220421810554498,
 "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", [2.22262, 1.0895, 10.0, 6.66786, 6.99794, 10.0, 2.22262, 4.20019, 10.0, 6.66786, 3.88726, 10.0, 4.80461, 5.36543, 10.0, 8.53111, 5.36543, 10.0, 4.08587, 2.72201, 10.0, 0.35937, 2.72201, 10.0, 4.44524, -0.0, 10.0, -0.0, -0.0, 10.0, 2.22262, 6.54309, 10.0, 6.66786, 1.54435, 10.0]]},
 "stress": {"__ndarray__": [[6], "float64", [3.1706866359486954e-06, -2.22197724881444e-05, 0.0005434794071362848, -0.0, -0.0, -0.0]]},
 "unique_id": "7d1f431f9ae62b5065409f1c7768b59c",
 "user": "yangxb"},
"ids": [1],
"nextid": 2}