{"1": {
 "calculator": "vasp",
 "calculator_parameters": {},
 "cell": {"__ndarray__": [[3, 3], "float64", [14.962217835, -0.0, 0.0, -0.0, 8.9740147, 0.0, 0.0, 0.0, 20.0]]},
 "ctime": 21.32550800858622,
 "energy": -81.78542587,
 "forces": {"__ndarray__": [[22, 3], "float64", [-0.0, 0.000197, -0.0, 0.0, -0.000197, -0.0, 0.0, -0.000197, 0.0, -0.0, 0.000197, -0.0, 0.004354, -0.0, -0.0, -0.004354, 0.0, 0.0, -0.004354, 0.0, -0.0, 0.004354, -0.0, -0.0, 0.000395, 0.00096, 0.0, -0.000395, -0.00096, -0.0, -0.000395, 0.00096, 0.0, 0.000395, -0.00096, -0.0, -0.000395, -0.00096, 0.0, 0.000395, 0.00096, -0.0, 0.000395, -0.00096, 0.0, -0.000395, 0.00096, -0.0, -0.005809, 0.0, 0.0, 0.005809, -0.0, 0.0, 0.005809, -0.0, 0.0, -0.005809, 0.0, 0.0, 0.0, -0.0, -0.0, 0.0, -0.0, -0.0]]},
 "free_energy": -81.86223828,
 "key_value_pairs": {"E": 0.2900580059090911, "Au_rate": 0.6363636363636364, "Si_rate": 0.36363636363636365},
 "mtime": 24.982386174651996,
 "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", [3.74055, 4.28523, 10.0, 3.74055, 0.20178, 10.0, 11.22166, 4.68878, 10.0, 11.22166, 8.77224, 10.0, 7.50475, 6.73051, 10.0, 14.93857, 6.73051, 10.0, 7.45746, 2.2435, 10.0, 0.02365, 2.2435, 10.0, 13.61575, 0.33087, 10.0, 8.82758, 4.15613, 10.0, 8.82758, 0.33087, 10.0, 13.61575, 4.15613, 10.0, 1.34647, 8.64314, 10.0, 6.13464, 4.81788, 10.0, 6.13464, 8.64314, 10.0, 1.34647, 4.81788, 10.0, 5.11404, 2.2435, 10.0, 2.36707, 2.2435, 10.0, 9.84818, 6.73051, 10.0, 12.59515, 6.73051, 10.0, 11.22166, 2.2435, 10.0, 3.74055, 6.73051, 10.0]]},
 "stress": {"__ndarray__": [[6], "float64", [5.7858789596937805e-06, 4.369056388118281e-06, 0.0005019983374856646, -0.0, -0.0, -0.0]]},
 "unique_id": "45bb8554c0c118a68c907b56775f103c",
 "user": "yangxb"},
"ids": [1],
"nextid": 2}