{ "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 ] [ 0.674746 0.325254 0.204919 ] [ 0.325254 0.325254 0.795081 ] [ 0.674746 0.674746 0.795081 ] [ 0.325254 0.674746 0.204919 ] [ 0.5 0 0 ] [ 0.5 0 0.5 ] [ 0.174746 0.825254 0.704919 ] [ 0.825254 0.825254 0.295081 ] [ 0.174746 0.174746 0.295081 ] [ 0.825254 0.174746 0.704919 ] [ 0 0.5 0.5 ] [ 0.323931 0.676069 0.923439 ] [ 0.676069 0.323931 0.923439 ] [ 0.323931 0.323931 0.076561 ] [ 0.676069 0.676069 0.076561 ] [ 0.823931 0.176069 0.423439 ] [ 0.176069 0.823931 0.423439 ] [ 0.823931 0.823931 0.576561 ] [ 0.176069 0.176069 0.576561 ] ] } "species" { "source-value" [ "Ce" "Ce" "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" 6.93634565475 "source-unit" "angstrom" } "c" { "source-value" 9.88357706751 "source-unit" "angstrom" } }