{"1": {
 "calculator": "vasp",
 "calculator_parameters": {},
 "cell": {"__ndarray__": [[3, 3], "float64", [13.425186753, 0.0, 0.0, 0.0, 5.376406613, 0.0, 0.0, 0.0, 20.0]]},
 "ctime": 21.325507196012552,
 "energy": -43.76771242,
 "forces": {"__ndarray__": [[12, 3], "float64", [0.004853, 0.007944, -0.0, -0.004853, -0.007944, 0.0, -0.004853, 0.007944, 0.0, 0.004853, -0.007944, -0.0, -0.020286, -0.03324, -0.0, 0.020286, 0.03324, -0.0, 0.020286, -0.03324, 0.0, -0.020286, 0.03324, 0.0, 0.042345, -0.004728, -0.0, -0.042345, 0.004728, 0.0, -0.042345, -0.004728, -0.0, 0.042345, 0.004728, -0.0]]},
 "free_energy": -43.82077764,
 "key_value_pairs": {"E": 0.29281929833333314, "Au_rate": 0.6666666666666666, "Si_rate": 0.3333333333333333},
 "mtime": 25.143430946380693,
 "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", [1.24982, 0.75887, 10.0, 12.17537, 4.61754, 10.0, 5.46277, 3.44707, 10.0, 7.96241, 1.92933, 10.0, 5.77945, 1.01541, 10.0, 7.64573, 4.36099, 10.0, 0.93314, 3.70362, 10.0, 12.49205, 1.67279, 10.0, 10.20599, 3.28973, 10.0, 3.2192, 2.08668, 10.0, 9.93179, 0.60153, 10.0, 3.4934, 4.77488, 10.0]]},
 "stress": {"__ndarray__": [[6], "float64", [-0.000164083033410345, -6.546094771226362e-05, 0.0005296856719680827, -0.0, -0.0, -0.0]]},
 "unique_id": "9bcabfca8b61a60f6eb63a07b2b48604",
 "user": "yangxb"},
"ids": [1],
"nextid": 2}