{"1": { "calculator": "vasp", "calculator_parameters": {}, "cell": {"__ndarray__": [[3, 3], "float64", [10.660074897, 0.0, 0.0, 0.0, 13.516728549, 0.0, 0.0, 0.0, 20.0]]}, "ctime": 21.32550603545508, "energy": -87.95137561, "forces": {"__ndarray__": [[24, 3], "float64", [0.000825, 0.003351, -0.0, -0.000825, 0.003351, -0.0, 0.000825, -0.003351, -0.0, -0.000825, -0.003351, -0.0, -0.000825, -0.003351, -0.0, 0.000825, -0.003351, -0.0, -0.000825, 0.003351, -0.0, 0.000825, 0.003351, -0.0, 0.002902, 0.0, 0.0, -0.002902, -0.0, 0.0, 0.002902, 0.0, -0.0, -0.002902, -0.0, 0.0, -0.006636, -0.0, -0.0, 0.006636, 0.0, 0.0, -0.006636, -0.0, 0.0, 0.006636, 0.0, -0.0, -0.001058, 0.000123, -0.0, 0.001058, 0.000123, 0.0, -0.001058, -0.000123, 0.0, 0.001058, -0.000123, 0.0, 0.001058, -0.000123, 0.0, -0.001058, -0.000123, -0.0, 0.001058, 0.000123, 0.0, -0.001058, 0.000123, -0.0]]}, "free_energy": -88.05447667, "key_value_pairs": {"E": 0.27548801625, "Au_rate": 0.6666666666666666, "Si_rate": 0.3333333333333333}, "mtime": 25.052004986056193, "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", [1.77149, 8.11014, 10.0, 8.88859, 1.35177, 10.0, 7.10152, 12.16496, 10.0, 3.55855, 5.40659, 10.0, 8.88859, 5.40659, 10.0, 1.77149, 12.16496, 10.0, 3.55855, 1.35177, 10.0, 7.10152, 8.11014, 10.0, 7.55705, 3.37918, 10.0, 3.10302, 10.13755, 10.0, 2.22702, 3.37918, 10.0, 8.43306, 10.13755, 10.0, 5.72347, 10.13755, 10.0, 4.93661, 3.37918, 10.0, 0.39343, 10.13755, 10.0, 10.26664, 3.37918, 10.0, 6.37034, 5.85572, 10.0, 4.28973, 12.61408, 10.0, 1.04031, 0.90265, 10.0, 9.61977, 7.66101, 10.0, 4.28973, 7.66101, 10.0, 6.37034, 0.90265, 10.0, 9.61977, 12.61408, 10.0, 1.04031, 5.85572, 10.0]]}, "stress": {"__ndarray__": [[6], "float64", [-1.838748588485208e-05, 6.507397414645886e-05, 0.0005477485993783889, -0.0, -0.0, -0.0]]}, "unique_id": "8330127a95aaa82b8c357782f4589f78", "user": "yangxb"}, "ids": [1], "nextid": 2}