{ "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" [ [ 0.75 0 0.125 ] [ 0.25 0 0.875 ] [ 0.25 0.5 0.625 ] [ 0.75 0.5 0.375 ] [ 0.75 0.81376 0.444802 ] [ 0.93624 0.5 0.694802 ] [ 0.06376 0.5 0.305198 ] [ 0.25 0.18624 0.555198 ] [ 0.75 0.31376 0.055198 ] [ 0.93624 0 0.805198 ] [ 0.25 0.68624 0.944802 ] [ 0.06376 0 0.194802 ] [ 0.25 0.31376 0.944802 ] [ 0.43624 0 0.194802 ] [ 0.56376 0 0.805198 ] [ 0.75 0.68624 0.055198 ] [ 0.25 0.81376 0.555198 ] [ 0.43624 0.5 0.305198 ] [ 0.75 0.18624 0.444802 ] [ 0.56376 0.5 0.694802 ] ] } "species" { "source-value" [ "Th" "Th" "Th" "Th" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 9.02882797179 "source-unit" "angstrom" } "c" { "source-value" 8.25525236028 "source-unit" "angstrom" } }