{"1": {
 "calculator": "vasp",
 "calculator_parameters": {},
 "cell": {"__ndarray__": [[3, 3], "float64", [8.086180202, 0.0, 0.0, 0.0, 8.893111384, 0.0, 0.0, 0.0, 20.0]]},
 "ctime": 21.325505377682454,
 "energy": -43.74617044,
 "forces": {"__ndarray__": [[12, 3], "float64", [-0.004477, 0.005633, 0.0, 0.004477, 0.005633, -0.0, 0.002262, -0.002449, -0.0, -0.002262, -0.002449, 0.0, -0.001053, 0.002243, 0.0, 0.001053, 0.002243, -0.0, 0.003808, 0.00491, -0.0, -0.003808, 0.00491, 0.0, 0.00267, -0.008137, 0.0, -0.00267, -0.008137, 0.0, 0.003086, -0.0022, 0.0, -0.003086, -0.0022, -0.0]]},
 "free_energy": -43.79344623,
 "key_value_pairs": {"E": 0.29461446333333335, "Au_rate": 0.6666666666666666, "Si_rate": 0.3333333333333333},
 "mtime": 24.982329683082668,
 "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", [5.13118, 3.36034, 10.0, 2.955, 7.8069, 10.0, 7.93272, 7.81146, 10.0, 0.15346, 3.3649, 10.0, 1.32699, 0.77808, 10.0, 6.75919, 5.22463, 10.0, 2.4973, 3.36414, 10.0, 5.58888, 7.8107, 10.0, 4.04082, 5.58884, 10.0, 4.04536, 1.14228, 10.0, 6.76874, 1.49749, 10.0, 1.31744, 5.94405, 10.0]]},
 "stress": {"__ndarray__": [[6], "float64", [-5.473179352487029e-05, -1.4324263443902078e-05, 0.0005461133239874074, -0.0, -0.0, -0.0]]},
 "unique_id": "ff85560c48a1d4e2851b52a90cd9792a",
 "user": "yangxb"},
"ids": [1],
"nextid": 2}