{"1": { "calculator": "vasp", "calculator_parameters": {}, "cell": {"__ndarray__": [[3, 3], "float64", [9.311055014, 0.0, 0.0, -0.0, 7.665104177, 0.0, 0.0, 0.0, 20.0]]}, "ctime": 21.32550719427549, "energy": -44.34151611, "forces": {"__ndarray__": [[12, 3], "float64", [0.000197, 0.004981, -0.0, -0.000197, -0.004981, 0.0, -0.000197, 0.004981, 0.0, 0.000197, -0.004981, 0.0, 0.016148, -0.005595, 0.0, -0.016148, 0.005595, -0.0, -0.016148, -0.005595, 0.0, 0.016148, 0.005595, -0.0, 0.032655, -0.020546, -0.0, -0.032655, 0.020546, 0.0, -0.032655, -0.020546, -0.0, 0.032655, 0.020546, 0.0]]}, "free_energy": -44.38774507, "key_value_pairs": {"E": 0.24500232416666665, "Au_rate": 0.6666666666666666, "Si_rate": 0.3333333333333333}, "mtime": 25.04960392556514, "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", [7.70714, 4.8085, 10.0, 1.60391, 2.85661, 10.0, 6.25944, 0.97594, 10.0, 3.05161, 6.68916, 10.0, 3.43088, 4.34294, 10.0, 5.88018, 3.32217, 10.0, 1.22465, 0.51038, 10.0, 8.08641, 7.15472, 10.0, 0.82231, 5.2405, 10.0, 8.48875, 2.42461, 10.0, 3.83322, 1.40795, 10.0, 5.47784, 6.25716, 10.0]]}, "stress": {"__ndarray__": [[6], "float64", [-5.264712947682528e-05, 3.105150790126921e-05, 0.0006111373660608592, -0.0, -0.0, -0.0]]}, "unique_id": "eb83f4e3d3d5f0d713be8839779768d5", "user": "yangxb"}, "ids": [1], "nextid": 2}