{"1": {
 "calculator": "vasp",
 "calculator_parameters": {},
 "cell": {"__ndarray__": [[3, 3], "float64", [11.497856225, 0.0, 0.0, 0.0, 7.46650035, 0.0, 0.0, 0.0, 20.0]]},
 "ctime": 21.325505887726404,
 "energy": -50.03028738,
 "forces": {"__ndarray__": [[14, 3], "float64", [0.00269, -0.005513, -0.0, -0.00269, -0.005513, -0.0, 0.00269, -0.005513, 0.0, -0.00269, -0.005513, -0.0, 0.0, 0.006144, 0.0, -0.0, 0.006144, 0.0, 0.009078, 0.002466, -0.0, -0.009078, 0.002466, -0.0, 0.009078, 0.002466, -0.0, -0.009078, 0.002466, -0.0, 0.00968, -2.5e-05, 0.0, -0.00968, -2.5e-05, 0.0, 0.00968, -2.5e-05, 0.0, -0.00968, -2.5e-05, 0.0]]},
 "free_energy": -50.09782153,
 "key_value_pairs": {"E": 0.26054590142857165, "Au_rate": 0.7142857142857143, "Si_rate": 0.2857142857142857},
 "mtime": 25.143810761265065,
 "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", [2.37436, 3.52179, 10.0, 9.1235, 3.52179, 10.0, 8.12329, 7.25504, 10.0, 3.37457, 7.25504, 10.0, 5.74893, 7.25284, 10.0, -0.0, 3.51959, 10.0, 7.16213, 4.90691, 10.0, 4.33572, 4.90691, 10.0, 1.4132, 1.17366, 10.0, 10.08465, 1.17366, 10.0, 7.16029, 2.13611, 10.0, 4.33756, 2.13611, 10.0, 1.41137, 5.86936, 10.0, 10.08649, 5.86936, 10.0]]},
 "stress": {"__ndarray__": [[6], "float64", [-9.892791964524964e-06, 4.709842786391507e-05, 0.0005335678906443821, -0.0, -0.0, -0.0]]},
 "unique_id": "ba2fc619f4ecbe07b61340fc8f92a3f3",
 "user": "yangxb"},
"ids": [1],
"nextid": 2}