{"1": { "calculator": "vasp", "calculator_parameters": {}, "cell": {"__ndarray__": [[3, 3], "float64", [7.630934656, 0.0, 0.0, 0.0, 9.337773997, 0.0, 0.0, 0.0, 20.0]]}, "ctime": 21.32550534752932, "energy": -44.34605006, "forces": {"__ndarray__": [[12, 3], "float64", [-0.006406, -0.002843, -0.0, 0.006406, -0.002843, 0.0, -0.007651, -0.001863, -0.0, 0.007651, -0.001863, 0.0, -0.000897, -0.00111, -0.0, 0.000897, -0.00111, 0.0, 0.005639, 0.004922, 0.0, -0.005639, 0.004922, -0.0, -0.001616, -0.007138, -0.0, 0.001616, -0.007138, 0.0, -0.004748, 0.008033, 0.0, 0.004748, 0.008033, -0.0]]}, "free_energy": -44.39474202, "key_value_pairs": {"E": 0.24462449499999975, "Au_rate": 0.6666666666666666, "Si_rate": 0.3333333333333333}, "mtime": 24.9822703255981, "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", [2.90969, 4.93133, 10.0, 4.72124, 0.26244, 10.0, 0.90783, 8.16525, 10.0, 6.7231, 3.49636, 10.0, 2.39087, 0.65094, 10.0, 5.24007, 5.31983, 10.0, 3.2788, 7.36457, 10.0, 4.35214, 2.69568, 10.0, 0.53591, 5.73118, 10.0, 7.09503, 1.06229, 10.0, 1.42422, 3.10843, 10.0, 6.20671, 7.77732, 10.0]]}, "stress": {"__ndarray__": [[6], "float64", [-5.405146903014901e-05, 4.880235985528119e-05, 0.0005758166659174859, -0.0, -0.0, -0.0]]}, "unique_id": "8ad6ae8fdec38b2c50a4bdaeb0ff1bfa", "user": "yangxb"}, "ids": [1], "nextid": 2}