{"1": {
 "calculator": "vasp",
 "calculator_parameters": {},
 "cell": {"__ndarray__": [[3, 3], "float64", [13.510925983, 0.0, 0.0, 0.0, 5.35767446, 0.0, 0.0, 0.0, 20.0]]},
 "ctime": 21.3255071429939,
 "energy": -43.76421342,
 "forces": {"__ndarray__": [[12, 3], "float64", [-0.051496, 0.013513, 0.0, 0.051496, -0.013513, 0.0, 0.051496, 0.013513, -0.0, -0.051496, -0.013513, -0.0, -0.033095, 0.018661, 0.0, 0.033095, -0.018661, -0.0, 0.033095, 0.018661, 0.0, -0.033095, -0.018661, -0.0, 0.01219, 0.086313, -0.0, -0.01219, -0.086313, -0.0, -0.01219, 0.086313, 0.0, 0.01219, -0.086313, 0.0]]},
 "free_energy": -43.82097874,
 "key_value_pairs": {"E": 0.29311088166666693, "Au_rate": 0.6666666666666666, "Si_rate": 0.3333333333333333},
 "mtime": 25.051738153992883,
 "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", [5.48078, 1.87965, 10.0, 8.03014, 3.47802, 10.0, 1.27468, 4.55849, 10.0, 12.23625, 0.79919, 10.0, 12.57812, 3.70666, 10.0, 0.9328, 1.65101, 10.0, 7.68827, 1.02782, 10.0, 5.82266, 4.32985, 10.0, 3.50052, 0.53594, 10.0, 10.01041, -0.53594, 10.0, 3.25494, 3.21477, 10.0, 10.25598, 2.1429, 10.0]]},
 "stress": {"__ndarray__": [[6], "float64", [0.0008504430674563493, 0.00023973012401605004, 0.0005705363491969887, -0.0, -0.0, -0.0]]},
 "unique_id": "8518655ebc2a4cdd24c8a6b8c52cb195",
 "user": "yangxb"},
"ids": [1],
"nextid": 2}