{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4_2/m" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0.75 ] [ 0 0 0.25 ] [ 0.649956 0.059352 0 ] [ 0.350044 0.940648 0 ] [ 0.059352 0.350044 0.5 ] [ 0.940648 0.649956 0.5 ] [ 0.209293 0.321293 0.671934 ] [ 0.678707 0.209293 0.171934 ] [ 0.176797 0.172737 0 ] [ 0.827263 0.176797 0.5 ] [ 0.172737 0.823203 0.5 ] [ 0.823203 0.827263 0 ] [ 0.209293 0.321293 0.328066 ] [ 0.678707 0.209293 0.828066 ] [ 0.321293 0.790707 0.828066 ] [ 0.790707 0.678707 0.328066 ] [ 0.790707 0.678707 0.671934 ] [ 0.321293 0.790707 0.171934 ] ] } "species" { "source-value" [ "Th" "Th" "P" "P" "P" "P" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.1144632 "source-unit" "angstrom" } "c" { "source-value" 9.90323762 "source-unit" "angstrom" } }