{"1": {
 "calculator": "vasp",
 "calculator_parameters": {},
 "cell": {"__ndarray__": [[3, 3], "float64", [10.657458087, 0.0, 0.0, 0.0, 13.517181231, 0.0, 0.0, 0.0, 20.0]]},
 "ctime": 21.325505744613668,
 "energy": -87.94895575,
 "forces": {"__ndarray__": [[24, 3], "float64", [-0.002006, -4.8e-05, 0.0, 0.002006, -4.8e-05, 0.0, -0.002006, -4.8e-05, 0.0, 0.002006, -4.8e-05, 0.0, 0.002808, 0.000871, 0.0, -0.002808, 0.000871, 0.0, 0.002808, 0.000871, 0.0, -0.002808, 0.000871, 0.0, 0.007077, 0.000922, 0.0, -0.007077, 0.000922, -0.0, 0.007077, 0.000922, 0.0, -0.007077, 0.000922, -0.0, 0.008119, 0.00055, 0.0, -0.008119, 0.00055, -0.0, 0.008119, 0.00055, -0.0, -0.008119, 0.00055, 0.0, -0.014679, -0.000499, -0.0, 0.014679, -0.000499, -0.0, -0.014679, -0.000499, -0.0, 0.014679, -0.000499, 0.0, 0.016192, -0.001796, -0.0, -0.016192, -0.001796, -0.0, 0.016192, -0.001796, 0.0, -0.016192, -0.001796, -0.0]]},
 "free_energy": -88.05229571,
 "key_value_pairs": {"E": 0.2755888437500002, "Au_rate": 0.6666666666666666, "Si_rate": 0.3333333333333333},
 "mtime": 25.61185748470496,
 "numbers": {"__ndarray__": [[24], "int32", [14, 14, 14, 14, 14, 14, 14, 14, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79]]},
 "pbc": {"__ndarray__": [[3], "bool", [true, true, true]]},
 "positions": {"__ndarray__": [[24, 3], "float64", [3.56246, 1.33513, 10.0, 7.095, 8.09372, 10.0, 8.89119, 1.33513, 10.0, 1.76627, 8.09372, 10.0, 1.76872, 12.14642, 10.0, 8.88873, 5.38783, 10.0, 7.09745, 12.14642, 10.0, 3.56, 5.38783, 10.0, 2.23091, 3.3525, 10.0, 8.42654, 10.11109, 10.0, 7.55964, 3.3525, 10.0, 3.09782, 10.11109, 10.0, 6.35945, 0.88119, 10.0, 4.29801, 7.63978, 10.0, 1.03072, 0.88119, 10.0, 9.62674, 7.63978, 10.0, 1.05226, 5.83453, 10.0, 9.6052, 12.59312, 10.0, 6.38099, 5.83453, 10.0, 4.27647, 12.59312, 10.0, 0.38813, 10.12511, 10.0, 10.26933, 3.36652, 10.0, 5.71685, 10.12511, 10.0, 4.9406, 3.36652, 10.0]]},
 "stress": {"__ndarray__": [[6], "float64", [-6.708998159411915e-05, -1.279509370806068e-06, 0.0004924301039956855, -0.0, -0.0, -0.0]]},
 "unique_id": "83f316b70a2df87b3ab4e5771b2e42b3",
 "user": "yangxb"},
"ids": [1],
"nextid": 2}