{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pcmn" } "basis-atom-coordinates" { "source-value" [ [ 0.511654 0.25 0.2203 ] [ 0.011654 0.75 0.2797 ] [ 0.488346 0.75 0.7797 ] [ 0.988346 0.25 0.7203 ] [ 0.5 0.5 0.5 ] [ 0 0.5 0 ] [ 0.5 0 0.5 ] [ 0 0 0 ] [ 0.425657 0.25 0.903969 ] [ 0.574343 0.75 0.096031 ] [ 0.074343 0.25 0.403969 ] [ 0.925657 0.75 0.596031 ] [ 0.696198 0.94066 0.160547 ] [ 0.196198 0.05934 0.339453 ] [ 0.303802 0.44066 0.839453 ] [ 0.803802 0.55934 0.660547 ] [ 0.196198 0.44066 0.339453 ] [ 0.303802 0.05934 0.839453 ] [ 0.696198 0.55934 0.160547 ] [ 0.803802 0.94066 0.660547 ] [ 0.739747 0.25 0.906193 ] [ 0.239747 0.75 0.593807 ] [ 0.260253 0.75 0.093807 ] [ 0.760253 0.25 0.406193 ] [ 0.696089 0.75 0.963507 ] [ 0.196089 0.25 0.536493 ] [ 0.303911 0.25 0.036493 ] [ 0.803911 0.75 0.463507 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Be" "Be" "Be" "Be" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.95492434 "source-unit" "angstrom" } "b" { "source-value" 6.64661609 "source-unit" "angstrom" } "c" { "source-value" 11.09084937 "source-unit" "angstrom" } }