{"1": { "calculator": "vasp", "calculator_parameters": {}, "cell": {"__ndarray__": [[3, 3], "float64", [5.371525576, 0.0, 0.0, 0.0, 13.442669332, 0.0, 0.0, 0.0, 20.0]]}, "ctime": 21.32550699861726, "energy": -43.77911921, "forces": {"__ndarray__": [[12, 3], "float64", [0.036701, -0.020431, 0.0, -0.036701, 0.020431, 0.0, -0.036701, -0.020431, -0.0, 0.036701, 0.020431, -0.0, 0.090535, -0.093941, 0.0, -0.090535, 0.093941, 0.0, -0.090535, -0.093941, -0.0, 0.090535, 0.093941, 0.0, -0.041393, 0.081906, 0.0, 0.041393, -0.081906, -0.0, 0.041393, 0.081906, -0.0, -0.041393, -0.081906, 0.0]]}, "free_energy": -43.83068144, "key_value_pairs": {"E": 0.2918687325000002, "Au_rate": 0.6666666666666666, "Si_rate": 0.3333333333333333}, "mtime": 25.143729247357864, "numbers": {"__ndarray__": [[12], "int32", [14, 14, 14, 14, 79, 79, 79, 79, 79, 79, 79, 79]]}, "pbc": {"__ndarray__": [[3], "bool", [true, true, true]]}, "positions": {"__ndarray__": [[12, 3], "float64", [0.74838, 5.49188, 10.0, 4.62315, 7.95079, 10.0, 1.93739, 12.21322, 10.0, 3.43414, 1.22945, 10.0, 0.99231, 0.95465, 10.0, 4.37922, 12.48802, 10.0, 1.69345, 7.67598, 10.0, 3.67807, 5.76669, 10.0, 2.06588, 3.5008, 10.0, 3.30565, 9.94187, 10.0, 0.61989, 10.22214, 10.0, 4.75164, 3.22053, 10.0]]}, "stress": {"__ndarray__": [[6], "float64", [0.00045526191715105073, 0.0004763020444144032, 0.0005662047418636257, -0.0, -0.0, -0.0]]}, "unique_id": "50dc82b1d1db020b2f47ffd9d8cd0fef", "user": "yangxb"}, "ids": [1], "nextid": 2}