{ "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 0.25 0.864801 ] [ 0 0.25 0.114801 ] [ 0 0.75 0.885199 ] [ 0.5 0.75 0.135199 ] [ 0 0.75 0.364801 ] [ 0.5 0.75 0.614801 ] [ 0.5 0.25 0.385199 ] [ 0 0.25 0.635199 ] [ 0.5 0.25 0.125 ] [ 0.5 0.75 0.875 ] [ 0 0.75 0.625 ] [ 0 0.25 0.375 ] ] } "species" { "source-value" [ "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "N" "N" "N" "N" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.26271800062 "source-unit" "angstrom" } "c" { "source-value" 8.08763626266 "source-unit" "angstrom" } }