Output file formats

OVITO can export data to the following file formats:

Format name

Description

Data type(s)

LAMMPS data

File format read by the LAMMPS molecular dynamics code.

particles, Bonds, angles, dihedrals, impropers

XYZ

A simple column-based text format, which is documented here and here.

particles

POSCAR

File format used by the ab initio simulation package VASP.

particles

IMD

File format used by the molecular dynamics code IMD.

particles

FHI-aims

File format used by the ab initio simulation package FHI-aims.

particles

NetCDF

Binary format for molecular dynamics data following the AMBER format convention.

particles

GSD/HOOMD

Binary format for molecular dynamics data used by the HOOMD-blue code. See GSD (General Simulation Data) format.

particles, bonds, global attributes

Table of values

A simple tabular text file with scalar quantities computed by OVITO’s data pipeline.

global attributes

VTK

Generic text-based data format used by the ParaView software.

surface meshes, voxel grids, dislocations

POV-Ray scene

Exports the entire scene to a file that can be rendered with POV-Ray.

any

Crystal Analysis (.ca)

Format that can store dislocation lines extracted from an atomistic crystal model by the Dislocation analysis (DXA) modifier. The format is documented here.

dislocations, surface meshes