{ "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 0.25 ] [ 0.5 0.5 0 ] [ 0 0.5 0.75 ] [ 0 0 0.5 ] [ 0 0 0 ] [ 0 0.5 0.25 ] [ 0.5 0.5 0.5 ] [ 0.5 0 0.75 ] [ 0.5 0 0.990595 ] [ 0 0 0.759405 ] [ 0 0.5 0.009405 ] [ 0 0 0.240595 ] [ 0 0.5 0.490595 ] [ 0.5 0.5 0.259405 ] [ 0.5 0 0.509405 ] [ 0.5 0.5 0.740595 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "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" 5.82857086966 "source-unit" "angstrom" } "c" { "source-value" 12.0569146536 "source-unit" "angstrom" } }