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CASM file formats

These are quick links to descriptions of the most commonly used CASM project input and output files.

Note: A complete description of the CASM project directory structure with file locations is available here.

Name Description Format
basis.json Basis set information Basis Set
bspecs.json Basis set specifications Basis Set Specs
chemical_reference.json Chemical reference states Chemical Reference
clust.json Cluster orbits information Cluster Orbits
composition_axes.json Composition axes definitions Composition Axes
config.json Configuration DoF values Configuration
crystal_point_group.json Crystal point group information Symmetry Group
dof_space_<dof_type>.json DoF-space analysis information DoF Space
eci.json Basis set with effective cluster interaction (ECI) values Basis Set
factor_group.json Prim factor group information Symmetry Group
lattice_point_group.json Lattice point group information Symmetry Group
prim.json Primitive crystal structure and allowed degrees of freedom (DoF) Prim
project_settings.json Project settings Project Settings
properties.calc.json Structure information with calculated properties Structure
structure.json Structure information Structure