{"1": {
 "calculator": "vasp",
 "calculator_parameters": {},
 "cell": {"__ndarray__": [[3, 3], "float64", [9.279222474, 0.0, 0.0, 0.0, 9.279222474, 0.0, 0.0, 0.0, 20.0]]},
 "ctime": 21.325505241091292,
 "energy": -50.37051035,
 "forces": {"__ndarray__": [[14, 3], "float64", [-0.000866, 0.000866, -0.0, 0.000866, -0.000866, -0.0, -0.000866, -0.000866, -0.0, 0.000866, 0.000866, -0.0, -0.002736, 0.000217, -0.0, 0.002736, -0.000217, 0.0, -0.000217, -0.002736, -0.0, 0.000217, 0.002736, 0.0, 0.002736, 0.000217, -0.0, -0.002736, -0.000217, -0.0, 0.000217, -0.002736, 0.0, -0.000217, 0.002736, -0.0, 0.0, -0.0, -0.0, -0.0, -0.0, -0.0]]},
 "free_energy": -50.42087835,
 "key_value_pairs": {"E": 0.23624426071428545, "Au_rate": 0.7142857142857143, "Si_rate": 0.2857142857142857},
 "mtime": 24.982337610575897,
 "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", [6.37118, 7.54765, 10.0, 2.90804, 1.73157, 10.0, 1.73157, 6.37118, 10.0, 7.54765, 2.90804, 10.0, 1.87752, 8.76838, 10.0, 7.4017, 0.51084, 10.0, 0.51084, 1.87752, 10.0, 8.76838, 7.4017, 10.0, 2.76209, 4.12877, 10.0, 6.51713, 5.15046, 10.0, 4.12877, 6.51713, 10.0, 5.15046, 2.76209, 10.0, 0.0, 4.63961, 10.0, 4.63961, 0.0, 10.0]]},
 "stress": {"__ndarray__": [[6], "float64", [4.930792209447774e-06, 4.930792209447774e-06, 0.0005358585244935812, -0.0, -0.0, -0.0]]},
 "unique_id": "81f1c86b90c4fbca26bb1577db9308dc",
 "user": "yangxb"},
"ids": [1],
"nextid": 2}