{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I4_1/amd" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.5 0 ] [ 0.5 0 0.25 ] [ 0 0 0.5 ] [ 0 0.5 0.75 ] [ 0 0 0 ] [ 0 0.5 0.25 ] [ 0.5 0.5 0.5 ] [ 0.5 0 0.75 ] [ 0 0 0.753003 ] [ 0 0 0.246997 ] [ 0.5 0 0.996997 ] [ 0 0.5 0.003003 ] [ 0.5 0.5 0.253003 ] [ 0.5 0.5 0.746997 ] [ 0 0.5 0.496997 ] [ 0.5 0 0.503003 ] ] } "species" { "source-value" [ "Ag" "Ag" "Ag" "Ag" "Sb" "Sb" "Sb" "Sb" "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" 5.73933177635 "source-unit" "angstrom" } "c" { "source-value" 11.7671578969 "source-unit" "angstrom" } }