{"1": {
 "calculator": "vasp",
 "calculator_parameters": {},
 "cell": {"__ndarray__": [[3, 3], "float64", [8.976125979, -0.0, 0.0, 0.0, 14.963246489, 0.0, 0.0, 0.0, 20.0]]},
 "ctime": 21.325508039000784,
 "energy": -81.78027555,
 "forces": {"__ndarray__": [[22, 3], "float64", [0.0, -0.00876, 0.0, 0.0, -0.00876, -0.0, 0.0, 0.00876, 0.0, 0.0, 0.00876, -0.0, 0.002939, -0.0, 0.0, -0.002939, 0.0, 0.0, -0.002939, 0.0, -0.0, 0.002939, -0.0, -0.0, 0.000419, -0.002408, -0.0, -0.000419, -0.002408, -0.0, -0.000419, 0.002408, -0.0, 0.000419, 0.002408, 0.0, -0.000419, 0.002408, -0.0, 0.000419, 0.002408, -0.0, 0.000419, -0.002408, -0.0, -0.000419, -0.002408, -0.0, 0.0, -0.002155, 0.0, 0.0, -0.002155, -0.0, 0.0, 0.002155, 0.0, 0.0, 0.002155, 0.0, 0.0, 0.0, -0.0, 0.0, 0.0, -0.0]]},
 "free_energy": -81.86776922,
 "key_value_pairs": {"E": 0.2902921113636365, "Au_rate": 0.6363636363636364, "Si_rate": 0.36363636363636365},
 "mtime": 24.982343492586498,
 "numbers": {"__ndarray__": [[22], "int32", [14, 14, 14, 14, 14, 14, 14, 14, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79]]},
 "pbc": {"__ndarray__": [[3], "bool", [true, true, true]]},
 "positions": {"__ndarray__": [[22, 3], "float64", [0.0, 11.20157, 10.0, 4.48806, 3.71995, 10.0, 4.48806, 11.2433, 10.0, 0.0, 3.76168, 10.0, 2.04076, 7.48162, 10.0, 2.4473, -0.0, 10.0, 6.93537, 7.48162, 10.0, 6.52882, -0.0, 10.0, 2.57431, 5.08791, 10.0, 1.91375, 12.56954, 10.0, 1.91375, 2.39371, 10.0, 2.57431, 9.87533, 10.0, 6.40181, 9.87533, 10.0, 7.06237, 2.39371, 10.0, 7.06237, 12.56954, 10.0, 6.40181, 5.08791, 10.0, 4.48806, 1.37494, 10.0, 0.0, 8.85657, 10.0, 0.0, 6.10668, 10.0, 4.48806, 13.5883, 10.0, 4.48806, 7.48162, 10.0, 0.0, -0.0, 10.0]]},
 "stress": {"__ndarray__": [[6], "float64", [3.275543989263534e-05, -3.4890036013687414e-05, 0.0005362267735320084, -0.0, -0.0, 0.0]]},
 "unique_id": "2ca2ea053ae5ca52d09054a4efec44fd",
 "user": "yangxb"},
"ids": [1],
"nextid": 2}