{"1": {
 "calculator": "vasp",
 "calculator_parameters": {},
 "cell": {"__ndarray__": [[3, 3], "float64", [11.500314469, 0.0, 0.0, 0.0, 7.46597274, 0.0, 0.0, 0.0, 20.0]]},
 "ctime": 21.32550593073898,
 "energy": -50.01742958,
 "forces": {"__ndarray__": [[14, 3], "float64", [-0.005319, -0.000954, -0.0, 0.005319, -0.000954, -0.0, 0.005319, -0.000954, -0.0, -0.005319, -0.000954, -0.0, -0.0, 0.003922, -0.0, -0.0, 0.003922, -0.0, -0.000605, -0.001146, 0.0, 0.000605, -0.001146, 0.0, 0.000605, -0.001146, 0.0, -0.000605, -0.001146, 0.0, -0.00728, 0.000139, -0.0, 0.00728, 0.000139, -0.0, 0.00728, 0.000139, -0.0, -0.00728, 0.000139, -0.0]]},
 "free_energy": -50.08496746,
 "key_value_pairs": {"E": 0.26146431571428586, "Au_rate": 0.7142857142857143, "Si_rate": 0.2857142857142857},
 "mtime": 25.143817601480244,
 "numbers": {"__ndarray__": [[14], "int32", [14, 14, 14, 14, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79]]},
 "pbc": {"__ndarray__": [[3], "bool", [true, true, true]]},
 "positions": {"__ndarray__": [[14, 3], "float64", [3.37569, 0.00356, 10.0, 8.12462, 0.00356, 10.0, 2.37446, 3.73655, 10.0, 9.12585, 3.73655, 10.0, 0.0, 3.73554, 10.0, 5.75016, 0.00255, 10.0, 4.33659, 2.35066, 10.0, 7.16373, 2.35066, 10.0, 1.41357, 6.08364, 10.0, 10.08675, 6.08364, 10.0, 4.33717, 5.12133, 10.0, 7.16315, 5.12133, 10.0, 1.41299, 1.38834, 10.0, 10.08732, 1.38834, 10.0]]},
 "stress": {"__ndarray__": [[6], "float64", [-1.683959162163303e-05, 7.915481873445147e-05, 0.00047399268603782644, -0.0, -0.0, -0.0]]},
 "unique_id": "944e8aa8a2f3bdaaf3f9319a2fe9774b",
 "user": "yangxb"},
"ids": [1],
"nextid": 2}