{ "id": "building-metal-complexes_task7", "snapshot": "avogadro", "instruction": "在 Avogadro 2 中,创建具有两个环戊二烯基 (Cp) 和两个氯配体的 ZrCp2Cl2 配合物。", "source": "custom", "config": [ { "type": "launch", "parameters": { "command": [ "C:\\Avogadro2\\bin\\avogadro2.exe" ] } }, { "type": "sleep", "parameters": { "seconds": 5 } } ], "trajectory": "trajectories/", "related_apps": [ "avogadro" ], "evaluator": { "postconfig": [ { "type": "sleep", "parameters": { "seconds": 3 } } ], "func": "vllm_eval" }, "proxy": false, "fixed_ip": false, "possibility_of_env_change": "low", "metadata": { "input_files": [], "steps": "1. 打开 Template Tool,点击 Centers 选项卡。\n2. 输入 'Zr' 或选择锆元素。\n3. 点击四次 '+',将正电荷设置为 +4。\n4. 按键 '4',选择四面体几何形状。\n5. 在空白区域放置锆中心。\n6. 切换到 Ligands 选项卡,输入 'cp' 或选择环戊二烯基。\n7. 点击一个氢原子,添加第一个 Cp 配体。\n8. 点击相邻氢,添加第二个 Cp 配体。\n9. 切换到 Draw Tool(快捷键 Ctrl+2)。\n10. 选择 Cl 元素。\n11. 点击两个剩余氢原子,每次点击替换为氯配体。" } }