Statements (23)
| Predicate | Object |
|---|---|
| gptkbp:instanceOf |
file format
|
| gptkbp:book |
scaling factor
|
| gptkbp:contains |
element types
atomic positions lattice vectors number of atoms |
| gptkbp:eighthLine |
coordinate type (Direct or Cartesian)
|
| gptkbp:fileExtension |
none (usually named POSCAR)
|
| gptkbp:firstLine |
comment line
|
| gptkbp:format |
plain text
|
| gptkbp:generation |
materials modeling software
|
| https://www.w3.org/2000/01/rdf-schema#label |
POSCAR
|
| gptkbp:purpose |
crystal structure input
|
| gptkbp:relatedTo |
gptkb:CONTCAR
|
| gptkbp:requires |
VASP calculation
|
| gptkbp:seventhLine |
number of atoms
|
| gptkbp:sixthLine |
element symbols
|
| gptkbp:thirdToFifthLine |
lattice vectors
|
| gptkbp:usedBy |
gptkb:VASP
|
| gptkbp:usedFor |
defining simulation cell
|
| gptkbp:usedIn |
computational materials science
|
| gptkbp:bfsParent |
gptkb:VASP
|
| gptkbp:bfsLayer |
6
|