{"1": {
 "calculator": "vasp",
 "calculator_parameters": {},
 "cell": {"__ndarray__": [[3, 3], "float64", [13.430693858, 0.0, 0.0, 0.0, 5.374233967, 0.0, 0.0, 0.0, 20.0]]},
 "ctime": 21.3255063831448,
 "energy": -43.79482869,
 "forces": {"__ndarray__": [[12, 3], "float64", [-0.0008, -0.00532, 0.0, 0.0008, 0.00532, 0.0, 0.0008, -0.00532, -0.0, -0.0008, 0.00532, 0.0, -0.001623, 0.00063, 0.0, 0.001623, -0.00063, 0.0, 0.001623, 0.00063, 0.0, -0.001623, -0.00063, 0.0, -0.001285, -0.004216, -0.0, 0.001285, 0.004216, -0.0, 0.001285, -0.004216, -0.0, -0.001285, 0.004216, -0.0]]},
 "free_energy": -43.84692023,
 "key_value_pairs": {"E": 0.29055960916666645, "Au_rate": 0.6666666666666666, "Si_rate": 0.3333333333333333},
 "mtime": 25.08324589428672,
 "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", [7.95615, 1.93485, 10.0, 5.47454, 3.43938, 10.0, 12.18989, 4.62197, 10.0, 1.2408, 0.75227, 10.0, 5.77496, 1.00873, 10.0, 7.65574, 4.36551, 10.0, 0.94039, 3.69584, 10.0, 12.4903, 1.67839, 10.0, 3.50507, 4.76287, 10.0, 9.92562, 0.61136, 10.0, 3.21028, 2.07576, 10.0, 10.22042, 3.29848, 10.0]]},
 "stress": {"__ndarray__": [[6], "float64", [-6.54297401666342e-05, 3.449057942963088e-05, 0.0006051517588091371, -0.0, -0.0, 0.0]]},
 "unique_id": "d7b726c3d348c4a1cdd94bdfc674b825",
 "user": "yangxb"},
"ids": [1],
"nextid": 2}