{"1": {
 "calculator": "vasp",
 "calculator_parameters": {},
 "cell": {"__ndarray__": [[3, 3], "float64", [8.083195023, 0.0, 0.0, 0.0, 8.896368761, 0.0, 0.0, 0.0, 20.0]]},
 "ctime": 21.325506179111024,
 "energy": -43.74833946,
 "forces": {"__ndarray__": [[12, 3], "float64", [0.008209, -0.002799, -0.0, -0.008209, -0.002799, 0.0, 0.002292, -0.00344, -0.0, -0.002292, -0.00344, 0.0, 0.00813, 0.005512, -0.0, -0.00813, 0.005512, 0.0, 0.009077, -0.001155, -0.0, -0.009077, -0.001155, 0.0, 0.002173, 0.001167, -0.0, -0.002173, 0.001167, 0.0, -0.002278, 0.000715, -0.0, 0.002278, 0.000715, 0.0]]},
 "free_energy": -43.79544938,
 "key_value_pairs": {"E": 0.29443371166666693, "Au_rate": 0.6666666666666666, "Si_rate": 0.3333333333333333},
 "mtime": 25.085853365508076,
 "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", [3.88926, 6.19112, 10.0, 4.19394, 1.74293, 10.0, 1.08509, 1.7436, 10.0, 6.9981, 6.19178, 10.0, 6.53673, 1.7365, 10.0, 1.54647, 6.18468, 10.0, 5.3631, 4.32719, 10.0, 2.7201, 8.77537, 10.0, 2.71996, 3.6071, 10.0, 5.36324, 8.05529, 10.0, 0.00326, 8.41067, 10.0, -0.00326, 3.96249, 10.0]]},
 "stress": {"__ndarray__": [[6], "float64", [-6.509894018296239e-05, 2.4585304446854157e-05, 0.0005364327433331626, -0.0, -0.0, -0.0]]},
 "unique_id": "d4acd04f206ebb7e5ed949951ba4eace",
 "user": "yangxb"},
"ids": [1],
"nextid": 2}