{"1": {
 "calculator": "vasp",
 "calculator_parameters": {},
 "cell": {"__ndarray__": [[3, 3], "float64", [9.312894043, -0.0, 0.0, 0.0, 7.663566816, 0.0, 0.0, 0.0, 20.0]]},
 "ctime": 21.325506650094418,
 "energy": -44.35788431,
 "forces": {"__ndarray__": [[12, 3], "float64", [0.00164, 0.008328, 0.0, -0.00164, -0.008328, 0.0, 0.00164, -0.008328, -0.0, -0.00164, 0.008328, 0.0, -0.000722, 0.00026, -0.0, 0.000722, -0.00026, -0.0, -0.000722, -0.00026, 0.0, 0.000722, 0.00026, 0.0, 0.001954, -0.005842, -0.0, -0.001954, 0.005842, 0.0, 0.001954, 0.005842, 0.0, -0.001954, -0.005842, -0.0]]},
 "free_energy": -44.40423489,
 "key_value_pairs": {"E": 0.2436383074999998, "Au_rate": 0.6666666666666666, "Si_rate": 0.3333333333333333},
 "mtime": 25.1537045549271,
 "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", [3.05197, 0.97448, 10.00002, 6.26093, 6.68908, 10.00002, 7.70841, 2.8573, 10.00002, 1.60448, 4.80627, 10.00002, 0.82775, 2.42644, 10.00002, 8.48514, 5.23712, 10.00002, 5.4842, 1.40534, 10.00002, 3.8287, 6.25823, 10.00002, 8.09151, 0.51228, 10.00002, 1.22138, 7.15129, 10.00002, 3.43506, 3.3195, 10.00002, 5.87783, 4.34406, 10.00002]]},
 "stress": {"__ndarray__": [[6], "float64", [2.759995335465577e-05, 3.2711749328754156e-05, 0.0006337565951330602, -0.0, -0.0, -0.0]]},
 "unique_id": "c407355248c2d832ceb5286b7662bf3e",
 "user": "yangxb"},
"ids": [1],
"nextid": 2}