{"1": {
 "calculator": "vasp",
 "calculator_parameters": {},
 "cell": {"__ndarray__": [[3, 3], "float64", [13.44812641, 0.0, 0.0, 0.0, 5.366216379, 0.0, 0.0, 0.0, 20.0]]},
 "ctime": 21.325505427488302,
 "energy": -43.79511967,
 "forces": {"__ndarray__": [[12, 3], "float64", [0.002241, 0.000643, 0.0, -0.002241, 0.000643, 0.0, -0.001598, 0.005288, 0.0, 0.001598, 0.005288, 0.0, -0.004463, -0.002897, -0.0, 0.004463, -0.002897, -0.0, 0.004092, -0.001289, -0.0, -0.004092, -0.001289, -0.0, -0.000815, -0.001508, 0.0, 0.000815, -0.001508, -0.0, -0.000519, -0.000237, 0.0, 0.000519, -0.000237, 0.0]]},
 "free_energy": -43.84675265,
 "key_value_pairs": {"E": 0.2905353608333335, "Au_rate": 0.6666666666666666, "Si_rate": 0.3333333333333333},
 "mtime": 24.982340357966127,
 "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", [8.84529, 4.68037, 10.0, 4.60283, 1.99726, 10.0, 11.32592, 0.82483, 10.0, 2.12221, 3.50794, 10.0, 9.1432, 1.74866, 10.0, 4.30493, 4.43177, 10.0, 6.86769, 3.36935, 10.0, 6.58044, 0.68624, 10.0, 11.03069, 3.76133, 10.0, 2.41744, 1.07822, 10.0, 0.14768, 4.82071, 10.0, -0.14768, 2.1376, 10.0]]},
 "stress": {"__ndarray__": [[6], "float64", [5.053125788315086e-05, 7.0404222939963156e-06, 0.000541382260069988, -0.0, -0.0, -0.0]]},
 "unique_id": "dcafee01f1f593321687fc4945870ca3",
 "user": "yangxb"},
"ids": [1],
"nextid": 2}