{"1": {
 "calculator": "vasp",
 "calculator_parameters": {},
 "cell": {"__ndarray__": [[3, 3], "float64", [16.230329689, 0.0, 0.0, 0.0, 8.874533121, 0.0, 0.0, 0.0, 20.0]]},
 "ctime": 21.325506211634348,
 "energy": -87.4864245,
 "forces": {"__ndarray__": [[24, 3], "float64", [-0.003062, 0.002038, 0.0, 0.003062, 0.002038, -0.0, -0.003062, 0.002038, 0.0, 0.003062, 0.002038, -0.0, -0.005379, 0.001895, 0.0, 0.005379, 0.001895, 0.0, -0.005379, 0.001895, 0.0, 0.005379, 0.001895, 0.0, 0.003231, -0.001485, 0.0, -0.003231, -0.001485, 0.0, 0.003231, -0.001485, 0.0, -0.003231, -0.001485, 0.0, 0.001997, 0.00436, 0.0, -0.001997, 0.00436, -0.0, 0.001997, 0.00436, -0.0, -0.001997, 0.00436, -0.0, -0.003472, -0.000239, 0.0, 0.003472, -0.000239, 0.0, -0.003472, -0.000239, 0.0, 0.003472, -0.000239, -0.0, -0.000594, -0.006568, -0.0, 0.000594, -0.006568, -0.0, -0.000594, -0.006568, -0.0, 0.000594, -0.006568, 0.0]]},
 "free_energy": -87.59399236,
 "key_value_pairs": {"E": 0.29486097916666676, "Au_rate": 0.6666666666666666, "Si_rate": 0.3333333333333333},
 "mtime": 25.14355820117078,
 "numbers": {"__ndarray__": [[24], "int32", [14, 14, 14, 14, 14, 14, 14, 14, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79]]},
 "pbc": {"__ndarray__": [[3], "bool", [true, true, true]]},
 "positions": {"__ndarray__": [[24, 3], "float64", [0.16105, 1.4879, 10.00002, 16.06928, 5.92517, 9.99998, 8.27621, 1.4879, 9.99998, 7.95412, 5.92517, 10.00002, 2.97462, 5.92829, 10.00002, 13.25571, 1.49102, 9.99998, 11.08979, 5.92829, 9.99998, 5.14054, 1.49102, 10.00002, 1.33039, 4.07458, 10.00002, 14.89994, 8.51185, 9.99998, 9.44556, 4.07458, 9.99998, 6.78477, 8.51185, 10.00002, 4.05428, 8.14431, 10.00002, 12.17605, 3.70704, 9.99998, 12.16944, 8.14431, 9.99998, 4.06089, 3.70704, 10.00002, 6.79546, 3.3463, 10.00002, 9.43487, 7.78357, 9.99998, 14.91062, 3.3463, 9.99998, 1.31971, 7.78357, 10.00002, 10.61899, 1.4904, 10.00002, 5.61134, 5.92767, 9.99998, 2.50383, 1.4904, 9.99998, 13.7265, 5.92767, 10.00002]]},
 "stress": {"__ndarray__": [[6], "float64", [2.6432791148115597e-05, -4.912691832982713e-05, 0.0005717284774400324, -0.0, -0.0, -0.0]]},
 "unique_id": "7c54b7c806f9ce76d26c2a06735b7713",
 "user": "yangxb"},
"ids": [1],
"nextid": 2}