{"1": { "calculator": "vasp", "calculator_parameters": {}, "cell": {"__ndarray__": [[3, 3], "float64", [13.443451784, -0.0, 0.0, -0.0, 5.370320629, 0.0, 0.0, 0.0, 20.0]]}, "ctime": 21.32550670311254, "energy": -43.79297207, "forces": {"__ndarray__": [[12, 3], "float64", [-0.007274, -0.013141, -0.0, 0.007274, 0.013141, 0.0, 0.007274, -0.013141, -0.0, -0.007274, 0.013141, -0.0, -0.002216, 0.019654, -0.0, 0.002216, -0.019654, 0.0, 0.002216, 0.019654, 0.0, -0.002216, -0.019654, 0.0, 0.009802, -0.011685, 0.0, -0.009802, 0.011685, -0.0, -0.009802, -0.011685, 0.0, 0.009802, 0.011685, -0.0]]}, "free_energy": -43.84531478, "key_value_pairs": {"E": 0.2907143275000002, "Au_rate": 0.6666666666666666, "Si_rate": 0.3333333333333333}, "mtime": 25.14354158187239, "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", [7.96684, 3.44347, 10.0, 5.47661, 1.92685, 10.0, 12.19833, 0.75831, 10.0, 1.24512, 4.61201, 10.0, 12.50322, 3.69442, 10.0, 0.94024, 1.6759, 10.0, 7.66196, 1.00926, 10.0, 5.78149, 4.36106, 10.0, 9.93787, 4.7655, 10.0, 3.50558, 0.60482, 10.0, 10.22731, 2.08034, 10.0, 3.21615, 3.28998, 10.0]]}, "stress": {"__ndarray__": [[6], "float64", [6.668428350093673e-05, 1.618423316341529e-05, 0.0005510878067607364, -0.0, -0.0, -0.0]]}, "unique_id": "852d7d914f7f02206a9c56fcf173fac7", "user": "yangxb"}, "ids": [1], "nextid": 2}