{"1": { "calculator": "vasp", "calculator_parameters": {}, "cell": {"__ndarray__": [[3, 3], "float64", [7.665158969, 0.0, 0.0, -0.0, 9.310891387, 0.0, 0.0, 0.0, 20.0]]}, "ctime": 21.325506948535722, "energy": -44.33823338, "forces": {"__ndarray__": [[12, 3], "float64", [0.000257, 0.003146, -0.0, -0.000257, -0.003146, 0.0, -0.000257, 0.003146, 0.0, 0.000257, -0.003146, -0.0, 0.003972, 0.0131, -0.0, -0.003972, -0.0131, -0.0, -0.003972, 0.0131, -0.0, 0.003972, -0.0131, 0.0, -0.000291, 0.003983, -0.0, 0.000291, -0.003983, -0.0, 0.000291, 0.003983, 0.0, -0.000291, -0.003983, 0.0]]}, "free_energy": -44.38451219, "key_value_pairs": {"E": 0.24527588500000017, "Au_rate": 0.6666666666666666, "Si_rate": 0.3333333333333333}, "mtime": 25.143476587174234, "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", [4.8077, 6.25943, 10.0, 2.85746, 3.05146, 10.0, 6.69004, 1.60399, 10.0, 0.97512, 7.70691, 10.0, 7.15267, 5.87553, 10.0, 0.51249, 3.43536, 10.0, 4.34507, 1.22009, 10.0, 3.32009, 8.09081, 10.0, 6.25989, 8.4822, 10.0, 1.40527, 0.82869, 10.0, 5.23784, 3.82675, 10.0, 2.42731, 5.48414, 10.0]]}, "stress": {"__ndarray__": [[6], "float64", [2.7512572226893403e-05, -3.265557574662121e-05, 0.000614626369662228, -0.0, -0.0, -0.0]]}, "unique_id": "5bdba27b1712d0695c1db666867a55c2", "user": "yangxb"}, "ids": [1], "nextid": 2}