The read_data format

Dear Andrew and Steve,

Thank you very much for your comprehensive explanations.

Everything was same between those two read_data files.You are right that “maybe two or more atoms have the same location”. I made a mistake when writing my own home made code. So that, one of the hydrogen atoms had the same position as oxygen atoms. After modification I tested it and I faced to the same outputs.

Thank you very much for your valuable time and effort.

Have a nice day :))