{"1": {
 "calculator": "vasp",
 "calculator_parameters": {},
 "cell": {"__ndarray__": [[3, 3], "float64", [11.499826292, 0.0, 0.0, 0.0, 7.465904614, 0.0, 0.0, 0.0, 20.0]]},
 "ctime": 21.32550584954778,
 "energy": -50.03327139,
 "forces": {"__ndarray__": [[14, 3], "float64", [0.001239, -0.000703, -0.0, -0.001239, -0.000703, -0.0, -0.001239, -0.000703, -0.0, 0.001239, -0.000703, -0.0, 5.4e-05, 0.001184, 0.0, -5.4e-05, 0.001184, 0.0, -5.4e-05, 0.001184, 0.0, 5.4e-05, 0.001184, 0.0, -0.0, 0.001722, -0.0, -0.0, 0.001722, -0.0, 0.000243, -0.001342, 0.0, -0.000243, -0.001342, 0.0, -0.000243, -0.001342, -0.0, 0.000243, -0.001342, -0.0]]},
 "free_energy": -50.10083066,
 "key_value_pairs": {"E": 0.26033275785714266, "Au_rate": 0.7142857142857143, "Si_rate": 0.2857142857142857},
 "mtime": 24.878407682496764,
 "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", [9.12505, 4.19907, 10.0, 2.37478, 4.19907, 10.0, 8.12469, 0.46612, 10.0, 3.37513, 0.46612, 10.0, 4.33625, 2.8129, 10.0, 7.16357, 2.8129, 10.0, 1.41366, 6.54585, 10.0, 10.08617, 6.54585, 10.0, 0.0, 4.19858, 10.0, 5.74991, 0.46563, 10.0, 7.16319, 5.58442, 10.0, 4.33664, 5.58442, 10.0, 10.08655, 1.85147, 10.0, 1.41327, 1.85147, 10.0]]},
 "stress": {"__ndarray__": [[6], "float64", [-1.814406702894263e-05, 1.717039160530484e-05, 0.0004987839602858347, -0.0, -0.0, -0.0]]},
 "unique_id": "f00a8edccf18753fcdfe264646a28817",
 "user": "yangxb"},
"ids": [1],
"nextid": 2}