{"1": {
 "calculator": "vasp",
 "calculator_parameters": {},
 "cell": {"__ndarray__": [[3, 3], "float64", [9.278371498, -1e-09, 0.0, 1e-09, 9.278371498, 0.0, 0.0, 0.0, 20.0]]},
 "ctime": 21.32550520446944,
 "energy": -50.37774716,
 "forces": {"__ndarray__": [[14, 3], "float64", [0.000371, 0.000195, 0.0, -0.000371, -0.000195, -0.0, -0.000195, 0.000371, -0.0, 0.000195, -0.000371, -0.0, 0.000872, 0.000382, 0.0, -0.000872, -0.000382, -0.0, -0.000382, 0.000872, 0.0, 0.000382, -0.000872, 0.0, -0.00226, -0.004586, -0.0, 0.00226, 0.004586, 0.0, 0.004586, -0.00226, 0.0, -0.004586, 0.00226, -0.0, -0.0, 0.0, -0.0, 0.0, 0.0, -0.0]]},
 "free_energy": -50.42800744,
 "key_value_pairs": {"E": 0.23572734571428583, "Au_rate": 0.7142857142857143, "Si_rate": 0.2857142857142857},
 "mtime": 24.982383274592944,
 "numbers": {"__ndarray__": [[14], "int32", [14, 14, 14, 14, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79]]},
 "pbc": {"__ndarray__": [[3], "bool", [true, true, true]]},
 "positions": {"__ndarray__": [[14, 3], "float64", [7.54711, 6.37044, 10.0, 1.73126, 2.90793, 10.0, 2.90793, 7.54711, 10.0, 6.37044, 1.73126, 10.0, 5.15048, 6.51598, 10.0, 4.12789, 2.76239, 10.0, 2.76239, 5.15048, 10.0, 6.51598, 4.12789, 10.0, 7.40175, 8.76793, 10.0, 1.87662, 0.51044, 10.0, 0.51044, 7.40175, 10.0, 8.76793, 1.87662, 10.0, 4.63919, -0.0, 10.0, 0.0, 4.63919, 10.0]]},
 "stress": {"__ndarray__": [[6], "float64", [3.175679843249402e-05, 3.175679843249402e-05, 0.0004917185719553348, -0.0, 0.0, -0.0]]},
 "unique_id": "76a1939a70206b25903a77b78c6740b5",
 "user": "yangxb"},
"ids": [1],
"nextid": 2}