{"1": {
 "calculator": "vasp",
 "calculator_parameters": {},
 "cell": {"__ndarray__": [[3, 3], "float64", [9.316324047, 0.0, 0.0, 0.0, 7.658287194, 0.0, 0.0, 0.0, 20.0]]},
 "ctime": 21.325506730186216,
 "energy": -44.34855436,
 "forces": {"__ndarray__": [[12, 3], "float64", [0.01315, 0.013571, -0.0, -0.01315, -0.013571, 0.0, 0.01315, -0.013571, -0.0, -0.01315, 0.013571, 0.0, 0.000902, -0.010007, -0.0, -0.000902, 0.010007, -0.0, 0.000902, 0.010007, -0.0, -0.000902, -0.010007, 0.0, -0.003076, -0.004902, 0.0, 0.003076, 0.004902, -0.0, -0.003076, 0.004902, 0.0, 0.003076, -0.004902, -0.0]]},
 "free_energy": -44.39532028,
 "key_value_pairs": {"E": 0.24441580333333324, "Au_rate": 0.6666666666666666, "Si_rate": 0.3333333333333333},
 "mtime": 25.143547800539153,
 "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", [1.60291, 4.80608, 10.00002, 7.71341, 2.85221, 10.00002, 6.26108, 6.68135, 10.00002, 3.05525, 0.97694, 10.00002, 3.83061, 6.25662, 10.00002, 5.48571, 1.40167, 10.00002, 8.48877, 5.23081, 10.00002, 0.82755, 2.42747, 10.00002, 1.22308, 7.15102, 10.00002, 8.09325, 0.50727, 10.00002, 5.88124, 4.33641, 10.00002, 3.43508, 3.32188, 10.00002]]},
 "stress": {"__ndarray__": [[6], "float64", [2.3280829039544555e-06, 1.39809804419785e-05, 0.0006012757816419637, -0.0, -0.0, -0.0]]},
 "unique_id": "24947c7da7a6674728ae76be4889cf06",
 "user": "yangxb"},
"ids": [1],
"nextid": 2}