{"1": {
 "calculator": "vasp",
 "calculator_parameters": {},
 "cell": {"__ndarray__": [[3, 3], "float64", [9.317706593, 0.0, 0.0, 0.0, 7.653180924, 0.0, 0.0, 0.0, 20.0]]},
 "ctime": 21.32550706806143,
 "energy": -44.35168575,
 "forces": {"__ndarray__": [[12, 3], "float64", [0.017363, 0.013503, 0.0, -0.017363, -0.013503, 0.0, 0.017363, -0.013503, -0.0, -0.017363, 0.013503, -0.0, -0.004171, 0.00367, -0.0, 0.004171, -0.00367, 0.0, -0.004171, -0.00367, -0.0, 0.004171, 0.00367, 0.0, -0.012055, -0.007142, 0.0, 0.012055, 0.007142, -0.0, -0.012055, 0.007142, 0.0, 0.012055, -0.007142, 0.0]]},
 "free_energy": -44.39887618,
 "key_value_pairs": {"E": 0.24415485416666657, "Au_rate": 0.6666666666666666, "Si_rate": 0.3333333333333333},
 "mtime": 25.14369582764295,
 "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", [7.70302, 4.81443, 10.0, 1.61469, 2.83875, 10.0, 3.04416, 6.66534, 10.0, 6.27354, 0.98784, 10.0, 5.881, 3.32449, 10.0, 3.43671, 4.32869, 10.0, 1.22214, 0.5021, 10.0, 8.09556, 7.15108, 10.0, 5.48037, 6.26687, 10.0, 3.83734, 1.38631, 10.0, 0.82152, 5.2129, 10.0, 8.49619, 2.44028, 10.0]]},
 "stress": {"__ndarray__": [[6], "float64", [-7.424275105238136e-05, 3.0265077751407918e-05, 0.0006918962526406627, -0.0, -0.0, 0.0]]},
 "unique_id": "1d07ccb9629c634e414b7aa424d0137a",
 "user": "yangxb"},
"ids": [1],
"nextid": 2}