{ "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 ] [ 0.323586 0.676414 0.794289 ] [ 0.676414 0.676414 0.205711 ] [ 0.323586 0.323586 0.205711 ] [ 0.676414 0.323586 0.794289 ] [ 0.5 0 0 ] [ 0.5 0 0.5 ] [ 0.823586 0.176414 0.294289 ] [ 0.176414 0.176414 0.705711 ] [ 0.823586 0.823586 0.705711 ] [ 0.176414 0.823586 0.294289 ] [ 0 0.5 0.5 ] [ 0.672715 0.327285 0.077746 ] [ 0.327285 0.672715 0.077746 ] [ 0.672715 0.672715 0.922254 ] [ 0.327285 0.327285 0.922254 ] [ 0.172715 0.827285 0.577746 ] [ 0.827285 0.172715 0.577746 ] [ 0.172715 0.172715 0.422254 ] [ 0.827285 0.827285 0.422254 ] ] } "species" { "source-value" [ "Sm" "Sm" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Ru" "Ru" "Ru" "Ru" "Ru" "Ru" "Ru" "Ru" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.94427920931 "source-unit" "angstrom" } "c" { "source-value" 9.88681138552 "source-unit" "angstrom" } }