{"1": { "calculator": "vasp", "calculator_parameters": {}, "cell": {"__ndarray__": [[3, 3], "float64", [5.371333116, 0.0, 0.0, -0.0, 13.434491932, 0.0, 0.0, 0.0, 20.0]]}, "ctime": 21.325507012638298, "energy": -43.79916099, "forces": {"__ndarray__": [[12, 3], "float64", [-0.003403, 0.004263, -0.0, 0.003403, -0.004263, 0.0, 0.003403, 0.004263, -0.0, -0.003403, -0.004263, -0.0, -0.002869, 0.004992, -0.0, 0.002869, -0.004992, 0.0, 0.002869, 0.004992, -0.0, -0.002869, -0.004992, -0.0, -0.000669, 0.009864, 0.0, 0.000669, -0.009864, 0.0, 0.000669, 0.009864, 0.0, -0.000669, -0.009864, -0.0]]}, "free_energy": -43.85142139, "key_value_pairs": {"E": 0.29019858416666694, "Au_rate": 0.6666666666666666, "Si_rate": 0.3333333333333333}, "mtime": 25.14372942513394, "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", [1.93099, 7.9603, 10.0, 3.44035, 5.47419, 10.0, 0.75468, 1.24305, 10.0, 4.61665, 12.19144, 10.0, 4.7643, 3.50387, 10.0, 0.60703, 9.93062, 10.0, 3.2927, 10.22112, 10.0, 2.07864, 3.21338, 10.0, 4.36181, 7.65615, 10.0, 1.00953, 5.77834, 10.0, 3.69519, 0.93891, 10.0, 1.67614, 12.49559, 10.0]]}, "stress": {"__ndarray__": [[6], "float64", [-1.6658587856982414e-05, 8.307448646550617e-06, 0.0005167095744953715, -0.0, -0.0, -0.0]]}, "unique_id": "f5925b5edfdecafaeb0bae2352ace332", "user": "yangxb"}, "ids": [1], "nextid": 2}