{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4/nbm" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0.5 ] [ 0.5 0.5 0.5 ] [ 0 0 0 ] [ 0.5 0.5 0 ] [ 0.136642 0.363358 0.210101 ] [ 0.636642 0.136642 0.210101 ] [ 0.363358 0.863358 0.210101 ] [ 0.136642 0.636642 0.789899 ] [ 0.863358 0.363358 0.789899 ] [ 0.863358 0.636642 0.210101 ] [ 0.363358 0.136642 0.789899 ] [ 0.636642 0.863358 0.789899 ] ] } "species" { "source-value" [ "K" "K" "Ce" "Ce" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.37765793 "source-unit" "angstrom" } "c" { "source-value" 8.45975755 "source-unit" "angstrom" } }