{"1": {
 "calculator": "vasp",
 "calculator_parameters": {},
 "cell": {"__ndarray__": [[3, 3], "float64", [9.3116559, 0.0, 0.0, -0.0, 7.666358572, 0.0, 0.0, 0.0, 20.0]]},
 "ctime": 21.325506577103447,
 "energy": -44.33152021,
 "forces": {"__ndarray__": [[12, 3], "float64", [0.006424, -0.001033, 0.0, -0.006424, 0.001033, 0.0, 0.006424, 0.001033, 0.0, -0.006424, -0.001033, 0.0, 0.000237, -0.004879, 0.0, -0.000237, 0.004879, 0.0, 0.000237, 0.004879, 0.0, -0.000237, -0.004879, -0.0, 0.001658, -0.009427, -0.0, -0.001658, 0.009427, 0.0, 0.001658, 0.009427, 0.0, -0.001658, -0.009427, 0.0]]},
 "free_energy": -44.37771174,
 "key_value_pairs": {"E": 0.2458353158333333, "Au_rate": 0.6666666666666666, "Si_rate": 0.3333333333333333},
 "mtime": 25.143520765366276,
 "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", [7.70415, 2.85806, 9.99996, 1.6075, 4.8083, 9.99996, 3.04833, 0.97512, 9.99996, 6.26333, 6.69124, 9.99996, 5.4824, 1.40435, 9.99996, 3.82926, 6.26201, 9.99996, 0.82657, 2.42883, 9.99996, 8.48509, 5.23753, 9.99996, 5.87602, 4.34771, 9.99996, 3.43564, 3.31865, 9.99996, 1.22019, 7.15183, 9.99996, 8.09146, 0.51453, 9.99996]]},
 "stress": {"__ndarray__": [[6], "float64", [5.735946886686715e-06, 1.038587118546974e-05, 0.0006186084524845415, -0.0, -0.0, -0.0]]},
 "unique_id": "116fbd6e1b53cfeb7ebadac616609467",
 "user": "yangxb"},
"ids": [1],
"nextid": 2}