{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I-42m" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0 0.5 0.75 ] [ 0.5 0 0.75 ] [ 0.5 0 0.25 ] [ 0 0.5 0.25 ] [ 0.5 0.5 0 ] [ 0 0 0.5 ] [ 0.744565 0.255435 0.141223 ] [ 0.255435 0.744565 0.141223 ] [ 0.255435 0.255435 0.858777 ] [ 0.744565 0.744565 0.858777 ] [ 0.244565 0.755435 0.641223 ] [ 0.755435 0.244565 0.641223 ] [ 0.755435 0.755435 0.358777 ] [ 0.244565 0.244565 0.358777 ] ] } "species" { "source-value" [ "Cd" "Cd" "Cu" "Cu" "Cu" "Cu" "Sn" "Sn" "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" 5.91377607834 "source-unit" "angstrom" } "c" { "source-value" 11.5993506579 "source-unit" "angstrom" } }