{"1": {
 "calculator": "vasp",
 "calculator_parameters": {},
 "cell": {"__ndarray__": [[3, 3], "float64", [9.278475594, 0.0, 0.0, 0.0, 9.278475594, 0.0, 0.0, 0.0, 20.0]]},
 "ctime": 21.325505222022628,
 "energy": -50.37705644,
 "forces": {"__ndarray__": [[14, 3], "float64", [0.000989, 0.000989, 0.0, -0.000989, -0.000989, -0.0, -0.000989, 0.000989, 0.0, 0.000989, -0.000989, 0.0, 0.004802, -0.002269, -0.0, -0.004802, 0.002269, 0.0, 0.002269, 0.004802, -0.0, -0.002269, -0.004802, 0.0, 0.004802, 0.002269, -0.0, -0.004802, -0.002269, 0.0, 0.002269, -0.004802, -0.0, -0.002269, 0.004802, -0.0, 0.0, -0.0, 0.0, -0.0, -0.0, 0.0]]},
 "free_energy": -50.42743542,
 "key_value_pairs": {"E": 0.23577668285714307, "Au_rate": 0.7142857142857143, "Si_rate": 0.2857142857142857},
 "mtime": 25.589082229718706,
 "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", [7.54769, 2.90845, 10.0, 1.73079, 6.37003, 10.0, 6.37003, 7.54769, 10.0, 2.90845, 1.73079, 10.0, 4.12729, 6.51639, 10.0, 5.15118, 2.76209, 10.0, 2.76209, 4.12729, 10.0, 6.51639, 5.15118, 10.0, 8.76653, 7.40132, 10.0, 0.51195, 1.87715, 10.0, 7.40132, 0.51195, 10.0, 1.87715, 8.76653, 10.0, 0.0, 4.63924, 10.0, 4.63924, 0.0, 10.0]]},
 "stress": {"__ndarray__": [[6], "float64", [8.550867502460064e-06, 8.550867502460064e-06, 0.0005135388878594227, -0.0, 0.0, -0.0]]},
 "unique_id": "d4f4ca9d412b78f35ab6615ac61d63f1",
 "user": "yangxb"},
"ids": [1],
"nextid": 2}