{"1": { "calculator": "vasp", "calculator_parameters": {}, "cell": {"__ndarray__": [[3, 3], "float64", [10.660136762, 0.0, 0.0, 0.0, 13.515696273, 0.0, 0.0, 0.0, 20.0]]}, "ctime": 21.32550564836338, "energy": -87.9683633, "forces": {"__ndarray__": [[24, 3], "float64", [-0.001158, 0.001678, -0.0, 0.001158, 0.001678, 0.0, -0.001158, 0.001678, 0.0, 0.001158, 0.001678, 0.0, -0.001838, 0.000331, -0.0, 0.001838, 0.000331, 0.0, -0.001838, 0.000331, -0.0, 0.001838, 0.000331, 0.0, -0.000689, -0.000351, 0.0, 0.000689, -0.000351, -0.0, -0.000689, -0.000351, 0.0, 0.000689, -0.000351, 0.0, -0.002419, -0.00202, 0.0, 0.002419, -0.00202, 0.0, -0.002419, -0.00202, 0.0, 0.002419, -0.00202, 0.0, 0.000561, -0.001007, 0.0, -0.000561, -0.001007, -0.0, 0.000561, -0.001007, -0.0, -0.000561, -0.001007, 0.0, -0.009061, 0.001368, -0.0, 0.009061, 0.001368, 0.0, -0.009061, 0.001368, -0.0, 0.009061, 0.001368, 0.0]]}, "free_energy": -88.07156345, "key_value_pairs": {"E": 0.27478019583333363, "Au_rate": 0.6666666666666666, "Si_rate": 0.3333333333333333}, "mtime": 25.13626501051532, "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", [3.55988, 7.74563, 10.0, 7.10026, 0.98778, 10.0, 8.88995, 7.74563, 10.0, 1.77019, 0.98778, 10.0, 3.56371, 11.79785, 10.0, 7.09643, 5.04, 10.0, 8.89378, 11.79785, 10.0, 1.76636, 5.04, 10.0, 4.28572, 0.53895, 10.0, 6.37442, 7.29679, 10.0, 9.61579, 0.53895, 10.0, 1.04435, 7.29679, 10.0, 7.56, 9.77562, 10.0, 3.10014, 3.01777, 10.0, 2.22993, 9.77562, 10.0, 8.43021, 3.01777, 10.0, 4.29066, 5.49226, 10.0, 6.36948, 12.2501, 10.0, 9.62072, 5.49226, 10.0, 1.03941, 12.2501, 10.0, 4.93986, 9.76992, 10.0, 5.72027, 3.01207, 10.0, 10.26993, 9.76992, 10.0, 0.3902, 3.01207, 10.0]]}, "stress": {"__ndarray__": [[6], "float64", [2.5334285541960145e-05, -3.19877342701517e-05, 0.0005335616491352562, -0.0, -0.0, -0.0]]}, "unique_id": "2bf62a88d9da7016842e8f5c28831bec", "user": "yangxb"}, "ids": [1], "nextid": 2}