{"1": {
 "calculator": "vasp",
 "calculator_parameters": {},
 "cell": {"__ndarray__": [[3, 3], "float64", [9.279884899, -0.0, 0.0, -0.0, 9.277894678, 0.0, 0.0, 0.0, 20.0]]},
 "ctime": 21.325507814364634,
 "energy": -50.36818073,
 "forces": {"__ndarray__": [[14, 3], "float64", [0.000275, 0.00171, -0.0, -0.000275, -0.00171, -0.0, 0.000275, -0.00171, -0.0, -0.000275, 0.00171, -0.0, -0.0, -0.0, 0.0, 0.0, 0.0, 0.0, 0.000544, 0.000376, -0.0, -0.000544, -0.000376, 0.0, 0.000544, -0.000376, -0.0, -0.000544, 0.000376, 0.0, -0.004515, 0.004687, -0.0, 0.004515, -0.004687, 0.0, -0.004515, -0.004687, -0.0, 0.004515, 0.004687, 0.0]]},
 "free_energy": -50.41857007,
 "key_value_pairs": {"E": 0.23641066214285722, "Au_rate": 0.7142857142857143, "Si_rate": 0.2857142857142857},
 "mtime": 25.423644166321168,
 "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", [6.37136, 2.90797, 10.00002, 2.90853, 6.36993, 10.00002, 1.73142, 1.73098, 10.00002, 7.54847, 7.54691, 10.00002, 4.63994, 4.63895, 10.00002, 0.0, -0.0, 10.00002, 8.76884, 2.76283, 10.00002, 0.51104, 6.51506, 10.00002, 4.1289, 1.87612, 10.00002, 5.15098, 7.40178, 10.00002, 1.87834, 4.12737, 10.00002, 7.40155, 5.15053, 10.00002, 6.51828, 0.51158, 10.00002, 2.76161, 8.76632, 10.00002]]},
 "stress": {"__ndarray__": [[6], "float64", [-4.766640519437044e-05, -1.2695229562046548e-05, 0.0005563618819721078, -0.0, -0.0, -0.0]]},
 "unique_id": "c90663ad73f6da24e40f6c9fdab606b2",
 "user": "yangxb"},
"ids": [1],
"nextid": 2}