{"1": { "calculator": "vasp", "calculator_parameters": {}, "cell": {"__ndarray__": [[3, 3], "float64", [10.662699429, 0.0, 0.0, 0.0, 13.511815227, 0.0, 0.0, 0.0, 20.0]]}, "ctime": 21.325505643843204, "energy": -87.94944692, "forces": {"__ndarray__": [[24, 3], "float64", [-0.001102, -0.004559, 0.0, 0.001102, -0.004559, 0.0, -0.001102, -0.004559, 0.0, 0.001102, -0.004559, 0.0, -0.003625, 0.00156, 0.0, 0.003625, 0.00156, 0.0, -0.003625, 0.00156, 0.0, 0.003625, 0.00156, 0.0, -0.006548, -0.005705, -0.0, 0.006548, -0.005705, -0.0, -0.006548, -0.005705, 0.0, 0.006548, -0.005705, 0.0, -0.004045, 0.002266, -0.0, 0.004045, 0.002266, -0.0, -0.004045, 0.002266, 0.0, 0.004045, 0.002266, -0.0, 0.00441, 0.001185, 0.0, -0.00441, 0.001185, -0.0, 0.00441, 0.001185, -0.0, -0.00441, 0.001185, -0.0, 0.003024, 0.005253, 0.0, -0.003024, 0.005253, -0.0, 0.003024, 0.005253, -0.0, -0.003024, 0.005253, 0.0]]}, "free_energy": -88.05225289, "key_value_pairs": {"E": 0.27556837833333336, "Au_rate": 0.6666666666666666, "Si_rate": 0.3333333333333333}, "mtime": 25.143548012398302, "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", [8.89189, 11.54859, 9.99998, 1.77081, 4.79269, 10.00002, 3.56054, 11.54859, 10.00002, 7.10215, 4.79269, 9.99998, 3.5588, 7.49527, 9.99998, 7.1039, 0.73936, 10.00002, 8.89015, 7.49527, 10.00002, 1.77255, 0.73936, 9.99998, 6.37526, 7.04838, 9.99998, 4.28744, 0.29248, 10.00002, 1.04391, 7.04838, 10.00002, 9.61879, 0.29248, 9.99998, 6.36947, 11.99933, 9.99998, 4.29323, 5.24342, 10.00002, 1.03812, 11.99933, 10.00002, 9.62458, 5.24342, 9.99998, 3.10456, 2.76949, 9.99998, 7.55814, 9.52539, 10.00002, 8.43591, 2.76949, 10.00002, 2.22679, 9.52539, 9.99998, 4.93671, 9.52019, 9.99998, 5.72599, 2.76429, 10.00002, 10.26806, 9.52019, 10.00002, 0.39464, 2.76429, 9.99998]]}, "stress": {"__ndarray__": [[6], "float64", [2.8417591050146477e-05, -6.072988379484411e-06, 0.0005508568709230787, -0.0, -0.0, -0.0]]}, "unique_id": "1baee505492ac09b7940291e4f44942b", "user": "yangxb"}, "ids": [1], "nextid": 2}