{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-cubic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pm-3n" } "basis-atom-coordinates" { "source-value" [ [ 0 0.25 0.5 ] [ 0 0.75 0.5 ] [ 0.5 0 0.75 ] [ 0.5 0 0.25 ] [ 0.75 0.5 0 ] [ 0.25 0.5 0 ] [ 0.5 0.5 0.5 ] [ 0 0 0 ] [ 0 0.315558 0.842704 ] [ 0 0.684442 0.157296 ] [ 0.815558 0.5 0.342704 ] [ 0.184442 0.5 0.342704 ] [ 0.657296 0.184442 0.5 ] [ 0.342704 0.184442 0.5 ] [ 0.5 0.657296 0.815558 ] [ 0.5 0.342704 0.184442 ] [ 0 0.315558 0.157296 ] [ 0.5 0.342704 0.815558 ] [ 0.5 0.657296 0.184442 ] [ 0.657296 0.815558 0.5 ] [ 0.342704 0.815558 0.5 ] [ 0.184442 0.5 0.657296 ] [ 0.815558 0.5 0.657296 ] [ 0.157296 0 0.315558 ] [ 0.315558 0.157296 0 ] [ 0.684442 0.842704 0 ] [ 0.157296 0 0.684442 ] [ 0.684442 0.157296 0 ] [ 0.842704 0 0.315558 ] [ 0.842704 0 0.684442 ] [ 0.315558 0.842704 0 ] [ 0 0.684442 0.842704 ] [ 0.75 0.25 0.25 ] [ 0.25 0.25 0.75 ] [ 0.25 0.75 0.25 ] [ 0.75 0.75 0.75 ] [ 0.25 0.75 0.75 ] [ 0.75 0.75 0.25 ] [ 0.75 0.25 0.75 ] [ 0.25 0.25 0.25 ] ] } "species" { "source-value" [ "La" "La" "La" "La" "La" "La" "La" "La" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Ru" "Ru" "Ru" "Ru" "Ru" "Ru" "Ru" "Ru" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 9.87673275 "source-unit" "angstrom" } }