{"1": {
 "calculator": "vasp",
 "calculator_parameters": {},
 "cell": {"__ndarray__": [[3, 3], "float64", [5.366293722, 0.0, 0.0, 0.0, 13.447907911, 0.0, 0.0, 0.0, 20.0]]},
 "ctime": 21.32550673528317,
 "energy": -43.79691787,
 "forces": {"__ndarray__": [[12, 3], "float64", [0.009129, 0.013585, -0.0, -0.009129, -0.013585, 0.0, -0.009129, 0.013585, -0.0, 0.009129, -0.013585, 0.0, -0.010544, 0.000986, -0.0, 0.010544, -0.000986, -0.0, 0.010544, 0.000986, 0.0, -0.010544, -0.000986, 0.0, 0.00192, -0.005645, 0.0, -0.00192, 0.005645, -0.0, -0.00192, -0.005645, -0.0, 0.00192, 0.005645, 0.0]]},
 "free_energy": -43.84970787,
 "key_value_pairs": {"E": 0.29038551083333325, "Au_rate": 0.6666666666666666, "Si_rate": 0.3333333333333333},
 "mtime": 25.143502509503705,
 "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", [4.60077, 5.47378, 10.0, 0.76553, 7.97412, 10.0, 3.44868, 12.19774, 10.0, 1.91762, 1.25017, 10.0, 4.35445, 0.93882, 10.0, 1.01184, 12.50909, 10.0, 3.69499, 7.66277, 10.0, 1.6713, 5.78513, 10.0, 0.59712, 3.22337, 10.0, 4.76918, 10.22454, 10.0, 2.08603, 9.94732, 10.0, 3.28026, 3.50059, 10.0]]},
 "stress": {"__ndarray__": [[6], "float64", [-3.64254472586547e-05, 2.5215696868568366e-06, 0.0005742687716542668, -0.0, -0.0, 0.0]]},
 "unique_id": "9e5efbb53d488ed98d1ef1eede8cbee2",
 "user": "yangxb"},
"ids": [1],
"nextid": 2}