{"1": {
 "calculator": "vasp",
 "calculator_parameters": {},
 "cell": {"__ndarray__": [[3, 3], "float64", [8.972555165, -0.0, 0.0, 0.0, 14.967947206, 0.0, 0.0, 0.0, 20.0]]},
 "ctime": 21.32550803557903,
 "energy": -81.77929512,
 "forces": {"__ndarray__": [[22, 3], "float64", [-0.0, -0.003425, -0.0, -0.0, 0.003425, -0.0, -0.0, -0.003425, -0.0, -0.0, 0.003425, 0.0, 0.008442, -0.0, -0.0, -0.008442, 0.0, -0.0, 0.008442, -0.0, 0.0, -0.008442, 0.0, 0.0, -0.0, -0.0, 0.0, -0.0, -0.0, 0.0, 0.006813, 0.006372, -0.0, -0.006813, -0.006372, 0.0, 0.006813, -0.006372, 0.0, -0.006813, 0.006372, 0.0, 0.006813, 0.006372, -0.0, -0.006813, -0.006372, -0.0, 0.006813, -0.006372, 0.0, -0.006813, 0.006372, 0.0, -0.0, 0.001451, 0.0, -0.0, -0.001451, 0.0, -0.0, 0.001451, 0.0, -0.0, -0.001451, -0.0]]},
 "free_energy": -81.86691009,
 "key_value_pairs": {"E": 0.29033667636363636, "Au_rate": 0.6363636363636364, "Si_rate": 0.36363636363636365},
 "mtime": 24.982409303629144,
 "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", [0.0, 11.24877, 10.0, 0.0, 3.71918, 10.0, 4.48628, 3.76479, 10.0, 4.48628, 11.20315, 10.0, 2.04018, -0.0, 10.0, 6.93237, -0.0, 10.0, 6.52646, 7.48397, 10.0, 2.44609, 7.48397, 10.0, 0.0, 7.48397, 10.0, 4.48628, -0.0, 10.0, 2.57273, 12.57234, 10.0, 6.39982, 2.39561, 10.0, 2.57273, 2.39561, 10.0, 6.39982, 12.57234, 10.0, 7.05901, 5.08837, 10.0, 1.91355, 9.87958, 10.0, 7.05901, 9.87958, 10.0, 1.91355, 5.08837, 10.0, 0.0, 13.59349, 10.0, 0.0, 1.37446, 10.0, 4.48628, 6.10952, 10.0, 4.48628, 8.85843, 10.0]]},
 "stress": {"__ndarray__": [[6], "float64", [-4.586260905699018e-05, -6.016814797351461e-06, 0.0005519304104927307, -0.0, -0.0, -0.0]]},
 "unique_id": "d205fe75a6d0a505ca6c98a06bb5bb8a",
 "user": "yangxb"},
"ids": [1],
"nextid": 2}