{"1": {
 "calculator": "vasp",
 "calculator_parameters": {},
 "cell": {"__ndarray__": [[3, 3], "float64", [11.500308037, 0.0, 0.0, 0.0, 7.465152645, 0.0, 0.0, 0.0, 20.0]]},
 "ctime": 21.325507436582132,
 "energy": -50.04247901,
 "forces": {"__ndarray__": [[14, 3], "float64", [0.003428, -0.007992, -0.0, -0.003428, 0.007992, 0.0, -0.003428, -0.007992, 0.0, 0.003428, 0.007992, -0.0, 0.001433, 0.000154, 0.0, -0.001433, -0.000154, 0.0, -0.001433, 0.000154, -0.0, 0.001433, -0.000154, -0.0, 0.004629, -0.008641, -0.0, -0.004629, 0.008641, 0.0, -0.004629, -0.008641, -0.0, 0.004629, 0.008641, 0.0, -0.0, 0.0, -0.0, -0.0, 0.0, -0.0]]},
 "free_energy": -50.11002969,
 "key_value_pairs": {"E": 0.25967507071428564, "Au_rate": 0.7142857142857143, "Si_rate": 0.2857142857142857},
 "mtime": 25.143661100717917,
 "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", [9.12692, 0.0038, 10.0, 2.37338, -0.0038, 10.0, 8.12354, 3.73638, 10.0, 3.37677, 3.72877, 10.0, 7.16101, 6.08342, 10.0, 4.3393, 1.38173, 10.0, 10.08945, 2.35085, 10.0, 1.41086, 5.11431, 10.0, 10.08462, 5.12188, 10.0, 1.41569, 2.34328, 10.0, 7.16585, 1.3893, 10.0, 4.33446, 6.07585, 10.0, 5.75015, 3.73258, 10.0, -0.0, -0.0, 10.0]]},
 "stress": {"__ndarray__": [[6], "float64", [2.5309319505456615e-05, 5.51374916180527e-05, 0.0005029595298910507, -0.0, -0.0, -0.0]]},
 "unique_id": "167bf8c551321984362a725e363c7bcf",
 "user": "yangxb"},
"ids": [1],
"nextid": 2}