{"1": {
 "calculator": "vasp",
 "calculator_parameters": {},
 "cell": {"__ndarray__": [[3, 3], "float64", [10.520048717, 0.0, 0.0, 0.0, 13.8015922, 0.0, 0.0, 0.0, 20.0]]},
 "ctime": 21.325507390799494,
 "energy": -87.28955055,
 "forces": {"__ndarray__": [[24, 3], "float64", [0.029093, 0.115012, -0.0, -0.029093, 0.115012, -0.0, 0.029093, 0.115012, -0.0, -0.029093, 0.115012, -0.0, -0.082432, -0.012474, -0.0, 0.082432, -0.012474, -0.0, -0.082432, -0.012474, -0.0, 0.082432, -0.012474, -0.0, 0.011613, 0.043847, 0.0, -0.011613, 0.043847, -0.0, 0.011613, 0.043847, 0.0, -0.011613, 0.043847, 0.0, 0.049549, -0.074702, -0.0, -0.049549, -0.074702, -0.0, 0.049549, -0.074702, -0.0, -0.049549, -0.074702, 0.0, -0.017291, -0.095478, -0.0, 0.017291, -0.095478, 0.0, -0.017291, -0.095478, -0.0, 0.017291, -0.095478, 0.0, 0.01658, 0.023795, -0.0, -0.01658, 0.023795, 0.0, 0.01658, 0.023795, -0.0, -0.01658, 0.023795, 0.0]]},
 "free_energy": -87.42348473,
 "key_value_pairs": {"E": 0.3030640604166666, "Au_rate": 0.6666666666666666, "Si_rate": 0.3333333333333333},
 "mtime": 25.143683587059318,
 "numbers": {"__ndarray__": [[24], "int32", [14, 14, 14, 14, 14, 14, 14, 14, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79]]},
 "pbc": {"__ndarray__": [[3], "bool", [true, true, true]]},
 "positions": {"__ndarray__": [[24, 3], "float64", [6.45942, 13.5098, 9.99998, 4.06063, 6.609, 10.00002, 1.19939, 13.5098, 10.00002, 9.32066, 6.609, 9.99998, 1.36925, 3.72093, 9.99998, 9.1508, 10.62173, 10.00002, 6.62928, 3.72093, 10.00002, 3.89077, 10.62173, 9.99998, 6.51774, 6.07378, 9.99998, 4.0023, 12.97458, 10.00002, 1.25772, 6.07378, 10.00002, 9.26233, 12.97458, 9.99998, 1.42289, 11.17037, 9.99998, 9.09716, 4.26957, 10.00002, 6.68292, 11.17037, 10.00002, 3.83713, 4.26957, 9.99998, 2.62821, 1.64273, 9.99998, 7.89184, 8.54352, 10.00002, 7.88824, 1.64273, 10.00002, 2.63181, 8.54352, 9.99998, 5.3178, 8.69944, 9.99998, 5.20225, 1.79864, 10.00002, 0.05777, 8.69944, 10.00002, -0.05777, 1.79864, 9.99998]]},
 "stress": {"__ndarray__": [[6], "float64", [0.0003868237695857408, 0.00047529716144513603, 0.0005993721213585693, -0.0, -0.0, -0.0]]},
 "unique_id": "632a09bd40ee6119a8d21b72b105569c",
 "user": "yangxb"},
"ids": [1],
"nextid": 2}