The movie.xyz output file
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This file contains the positions (trajectory) of the atoms sampled at a given frequency.
The keyword which produces the current file
- 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 ...
- The first line:
number_of_atomsis the number of atoms for one frame.
- The second line:
frame_labelis the frame label (starting from 0) within a run.
- The third line:
type_1is the atom type for atom 1 and
x1 y1 z1are the position components (in units of angstrom) for this atom.
- Then there are
number_of_atoms - 1remaining lines for the current frame.
- Then the pattern above is repeated.