{"1": { "calculator": "vasp", "calculator_parameters": {}, "cell": {"__ndarray__": [[3, 3], "float64", [13.441064934, -0.0, 0.0, -0.0, 5.372508979, 0.0, 0.0, 0.0, 20.0]]}, "ctime": 21.32550681672125, "energy": -43.77851588, "forces": {"__ndarray__": [[12, 3], "float64", [-0.006274, 0.003404, -0.0, 0.006274, -0.003404, 0.0, -0.006274, -0.003404, 0.0, 0.006274, 0.003404, 0.0, 0.001242, 0.000812, 0.0, -0.001242, -0.000812, 0.0, 0.001242, -0.000812, -0.0, -0.001242, 0.000812, 0.0, 0.004576, -0.000814, 0.0, -0.004576, 0.000814, 0.0, 0.004576, 0.000814, 0.0, -0.004576, -0.000814, -0.0]]}, "free_energy": -43.83082243, "key_value_pairs": {"E": 0.29191901, "Au_rate": 0.6666666666666666, "Si_rate": 0.3333333333333333}, "mtime": 25.58933997444209, "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", [1.24503, 4.61565, 10.0, 12.19603, 0.75686, 10.0, 7.96557, 3.44312, 10.0, 5.4755, 1.92939, 10.0, 3.50499, 0.60766, 10.0, 9.93608, 4.76484, 10.0, 10.22552, 2.07859, 10.0, 3.21555, 3.29392, 10.0, 0.93934, 1.67545, 10.0, 12.50172, 3.69706, 10.0, 7.65987, 1.01081, 10.0, 5.78119, 4.3617, 10.0]]}, "stress": {"__ndarray__": [[6], "float64", [6.57230910955507e-05, 4.066343195512943e-05, 0.0005482104710537042, -0.0, -0.0, -0.0]]}, "unique_id": "b49231c2f3adc79a85da6cb42ebdc376", "user": "yangxb"}, "ids": [1], "nextid": 2}