{"1": { "calculator": "vasp", "calculator_parameters": {}, "cell": {"__ndarray__": [[3, 3], "float64", [10.752293865, 0.0, 0.0, 0.0, 13.433256806, 0.0, 0.0, 0.0, 20.0]]}, "ctime": 21.3255056055904, "energy": -87.57309265, "forces": {"__ndarray__": [[24, 3], "float64", [0.004302, 0.02387, 0.0, -0.004302, 0.02387, -0.0, 0.004302, 0.02387, 0.0, -0.004302, 0.02387, -0.0, -0.021679, -0.011226, -0.0, 0.021679, -0.011226, -0.0, -0.021679, -0.011226, 0.0, 0.021679, -0.011226, -0.0, -0.002016, -0.004693, -0.0, 0.002016, -0.004693, 0.0, -0.002016, -0.004693, -0.0, 0.002016, -0.004693, 0.0, -0.008107, 0.021804, 0.0, 0.008107, 0.021804, -0.0, -0.008107, 0.021804, 0.0, 0.008107, 0.021804, -0.0, 0.016052, -0.026032, -0.0, -0.016052, -0.026032, -0.0, 0.016052, -0.026032, -0.0, -0.016052, -0.026032, -0.0, -0.01281, -0.003722, -0.0, 0.01281, -0.003722, -0.0, -0.01281, -0.003722, -0.0, 0.01281, -0.003722, -0.0]]}, "free_energy": -87.6783689, "key_value_pairs": {"E": 0.29124980624999974, "Au_rate": 0.6666666666666666, "Si_rate": 0.3333333333333333}, "mtime": 25.143512215648226, "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", [10.14981, 4.62164, 10.0, 0.60248, 11.33827, 10.0, 4.77367, 4.62164, 10.0, 5.97863, 11.33827, 10.0, 2.09921, 0.37832, 10.0, 8.65308, 7.09495, 10.0, 7.47536, 0.37832, 10.0, 3.27694, 7.09495, 10.0, 8.40677, 11.63451, 10.0, 2.34553, 4.91789, 10.0, 3.03062, 11.63451, 10.0, 7.72167, 4.91789, 10.0, 7.34329, 9.06501, 10.0, 3.409, 2.34838, 10.0, 1.96715, 9.06501, 10.0, 8.78515, 2.34838, 10.0, 6.09681, 2.65674, 10.0, 4.65548, 9.37337, 10.0, 0.72067, 2.65674, 10.0, 10.03163, 9.37337, 10.0, 5.0486, 0.08612, 10.0, 5.70369, 6.80275, 10.0, 10.42475, 0.08612, 10.0, 0.32754, 6.80275, 10.0]]}, "stress": {"__ndarray__": [[6], "float64", [-5.6504382116621134e-05, 6.381943081215631e-05, 0.0005524921463140602, -0.0, -0.0, -0.0]]}, "unique_id": "918d9668913c859140e9a3af96cf6942", "user": "yangxb"}, "ids": [1], "nextid": 2}