The movie.xyz output file

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Brief Description

This file contains the positions (trajectory) of the atoms sampled at a given frequency.

The keyword which produces the current file

File format

  • This is in the format of the XYZ file.
  • Specifically, it reads:
   number_of_atoms
   frame_label
   type_1 x1 y1 z1
   ...
   number_of_atoms
   frame_label
   type_1 x1 y1 z1
   ...

Explanations

  • The first line: number_of_atoms is the number of atoms for one frame.
  • The second line: frame_label is the frame label (starting from 0) within a run.
  • The third line: type_1 is the atom type for atom 1 and x1 y1 z1 are the position components (in units of angstrom) for this atom.
  • Then there are number_of_atoms - 1 remaining lines for the current frame.
  • Then the pattern above is repeated.