{"1": {
 "calculator": "vasp",
 "calculator_parameters": {},
 "cell": {"__ndarray__": [[3, 3], "float64", [13.431532796, -0.0, 0.0, -0.0, 5.373968497, 0.0, 0.0, 0.0, 20.0]]},
 "ctime": 21.325507083533797,
 "energy": -43.76925823,
 "forces": {"__ndarray__": [[12, 3], "float64", [-0.001477, 0.002652, 0.0, 0.001477, -0.002652, 0.0, 0.001477, 0.002652, 0.0, -0.001477, -0.002652, 0.0, 0.004657, -0.026938, 0.0, -0.004657, 0.026938, 0.0, -0.004657, -0.026938, -0.0, 0.004657, 0.026938, -0.0, 0.018484, -0.012257, -0.0, -0.018484, 0.012257, 0.0, -0.018484, -0.012257, 0.0, 0.018484, 0.012257, 0.0]]},
 "free_energy": -43.82259335,
 "key_value_pairs": {"E": 0.2926904808333335, "Au_rate": 0.6666666666666666, "Si_rate": 0.3333333333333333},
 "mtime": 25.143716697854277,
 "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", [5.46431, 3.44813, 10.0, 7.96722, 1.92584, 10.0, 1.25146, 0.76114, 10.0, 12.18008, 4.61283, 10.0, 3.49913, 4.78257, 10.0, 9.93241, 0.5914, 10.0, 3.21664, 2.09558, 10.0, 10.21489, 3.27839, 10.0, 0.93351, 3.70333, 10.0, 12.49803, 1.67064, 10.0, 5.78226, 1.01634, 10.0, 7.64927, 4.35763, 10.0]]},
 "stress": {"__ndarray__": [[6], "float64", [-3.089547017312213e-05, -8.35800487047027e-05, 0.0005228075289113594, -0.0, -0.0, -0.0]]},
 "unique_id": "4a23b3e1d9bcbabacb8e4fabe59409b5",
 "user": "yangxb"},
"ids": [1],
"nextid": 2}