{"1": {
 "calculator": "vasp",
 "calculator_parameters": {},
 "cell": {"__ndarray__": [[3, 3], "float64", [8.087744494, 0.0, 0.0, 0.0, 8.893633385, 0.0, 0.0, 0.0, 20.0]]},
 "ctime": 21.32550541989595,
 "energy": -43.74621075,
 "forces": {"__ndarray__": [[12, 3], "float64", [-0.003537, -0.00595, -0.0, 0.003537, -0.00595, 0.0, -0.000678, 0.004183, 0.0, 0.000678, 0.004183, -0.0, 0.005413, 0.001577, 0.0, -0.005413, 0.001577, -0.0, 0.005251, 0.000578, 0.0, -0.005251, 0.000578, 0.0, -0.002433, 0.000788, 0.0, 0.002433, 0.000788, -0.0, 0.002949, -0.001177, 0.0, -0.002949, -0.001177, -0.0]]},
 "free_energy": -43.79357992,
 "key_value_pairs": {"E": 0.2946111041666664, "Au_rate": 0.6666666666666666, "Si_rate": 0.3333333333333333},
 "mtime": 24.982277150688127,
 "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", [7.00519, 1.64444, 10.0, 1.08256, 6.09126, 10.0, 3.89191, 1.64264, 10.0, 4.19584, 6.08945, 10.0, -0.00165, 3.8697, 10.0, 0.00165, 8.31651, 10.0, 2.72116, 4.22792, 10.0, 5.36659, 8.67474, 10.0, 2.7222, 7.95245, 10.0, 5.36555, 3.50563, 10.0, 1.54922, 1.64643, 10.0, 6.53852, 6.09325, 10.0]]},
 "stress": {"__ndarray__": [[6], "float64", [-2.278150830947389e-06, 4.356573369866514e-06, 0.0005450397844177555, -0.0, -0.0, -0.0]]},
 "unique_id": "73c442e0d72bb759b14e304325239e9b",
 "user": "yangxb"},
"ids": [1],
"nextid": 2}