{"1": {
 "calculator": "vasp",
 "calculator_parameters": {},
 "cell": {"__ndarray__": [[3, 3], "float64", [14.963677597, -0.0, 0.0, 0.0, 8.975299877, 0.0, 0.0, 0.0, 20.0]]},
 "ctime": 21.325508007660947,
 "energy": -81.77945957,
 "forces": {"__ndarray__": [[22, 3], "float64", [-0.0, -0.005913, -0.0, -0.0, 0.005913, -0.0, -0.0, 0.005913, 0.0, -0.0, -0.005913, 0.0, -0.002945, -0.0, 0.0, 0.002945, -0.0, 0.0, 0.002945, -0.0, -0.0, -0.002945, -0.0, 0.0, -0.000324, -0.0, -0.0, 0.000324, -0.0, -0.0, 0.000324, -0.0, 0.0, -0.000324, -0.0, 0.0, -0.004688, 0.00194, -0.0, 0.004688, -0.00194, -0.0, 0.004688, 0.00194, 0.0, -0.004688, -0.00194, 0.0, 0.004688, -0.00194, -0.0, -0.004688, 0.00194, 0.0, -0.004688, -0.00194, -0.0, 0.004688, 0.00194, 0.0, -0.0, -0.0, -0.0, -0.0, -0.0, -0.0]]},
 "free_energy": -81.86698,
 "key_value_pairs": {"E": 0.2903292013636364, "Au_rate": 0.6363636363636364, "Si_rate": 0.36363636363636365},
 "mtime": 24.98235170710201,
 "numbers": {"__ndarray__": [[22], "int32", [14, 14, 14, 14, 14, 14, 14, 14, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79]]},
 "pbc": {"__ndarray__": [[3], "bool", [true, true, true]]},
 "positions": {"__ndarray__": [[22, 3], "float64", [3.74092, 0.20322, 10.0, 3.74092, 4.28443, 10.0, 11.22276, 8.77208, 10.0, 11.22276, 4.69087, 10.0, 7.50397, 6.73147, 10.0, -0.02213, 6.73147, 10.0, 7.45971, 2.24382, 10.0, 0.02213, 2.24382, 10.0, 12.59712, 6.73147, 10.0, 9.8484, 6.73147, 10.0, 2.36656, 2.24382, 10.0, 5.11529, 2.24382, 10.0, 1.34719, 4.81817, 10.0, 6.13465, 8.64478, 10.0, 6.13465, 4.81817, 10.0, 1.34719, 8.64478, 10.0, 13.61649, 4.15713, 10.0, 8.82902, 0.33052, 10.0, 8.82902, 4.15713, 10.0, 13.61649, 0.33052, 10.0, 11.22276, 2.24382, 10.0, 3.74092, 6.73147, 10.0]]},
 "stress": {"__ndarray__": [[6], "float64", [-2.929140232777013e-05, 2.565260250738019e-05, 0.0005313958454685748, -0.0, -0.0, -0.0]]},
 "unique_id": "b0e5e9f0d48dbe83cc137959441b8780",
 "user": "yangxb"},
"ids": [1],
"nextid": 2}