{"1": {
 "calculator": "vasp",
 "calculator_parameters": {},
 "cell": {"__ndarray__": [[3, 3], "float64", [9.278607836, 0.0, 0.0, 0.0, 9.278607836, 0.0, 0.0, 0.0, 20.0]]},
 "ctime": 21.325505228033414,
 "energy": -50.38022271,
 "forces": {"__ndarray__": [[14, 3], "float64", [0.003712, 0.003712, -0.0, -0.003712, -0.003712, -0.0, -0.003712, 0.003712, -0.0, 0.003712, -0.003712, -0.0, 0.005101, -0.003689, -0.0, -0.005101, 0.003689, -0.0, 0.003689, 0.005101, -0.0, -0.003689, -0.005101, -0.0, 0.005101, 0.003689, 0.0, -0.005101, -0.003689, 0.0, 0.003689, -0.005101, 0.0, -0.003689, 0.005101, 0.0, 0.0, 0.0, -0.0, 0.0, 0.0, -0.0]]},
 "free_energy": -50.43048647,
 "key_value_pairs": {"E": 0.23555052071428584, "Au_rate": 0.7142857142857143, "Si_rate": 0.2857142857142857},
 "mtime": 24.982326856733863,
 "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", [7.54564, 2.90633, 10.0, 1.73297, 6.37227, 10.0, 6.37227, 7.54564, 10.0, 2.90633, 1.73297, 10.0, 5.14813, 2.7622, 10.0, 4.13048, 6.51641, 10.0, 6.51641, 5.14813, 10.0, 2.7622, 4.13048, 10.0, 0.50882, 1.87711, 10.0, 8.76979, 7.4015, 10.0, 1.87711, 8.76979, 10.0, 7.4015, 0.50882, 10.0, 0.0, 4.6393, 10.0, 4.6393, -0.0, 10.0]]},
 "stress": {"__ndarray__": [[6], "float64", [4.125637532208834e-06, 4.125637532208834e-06, 0.0005053937184501451, -0.0, 0.0, -0.0]]},
 "unique_id": "76dbeb8179d9bf1cffc3ca5a2c184a52",
 "user": "yangxb"},
"ids": [1],
"nextid": 2}