Statements (14)
| Predicate | Object |
|---|---|
| gptkbp:instanceOf |
file format
|
| gptkbp:contains |
atomic positions
cell parameters lattice vectors |
| gptkbp:fileExtension |
none
|
| gptkbp:format |
plain text
|
| gptkbp:generation |
VASP calculation
|
| https://www.w3.org/2000/01/rdf-schema#label |
CONTCAR
|
| gptkbp:purpose |
stores final structure after relaxation
|
| gptkbp:relatedTo |
gptkb:POSCAR
|
| gptkbp:usedFor |
input for further VASP calculations
|
| gptkbp:usedIn |
gptkb:VASP
|
| gptkbp:bfsParent |
gptkb:VASP
|
| gptkbp:bfsLayer |
6
|