{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4_32_12" } "basis-atom-coordinates" { "source-value" [ [ 0.347122 0.873508 0.451537 ] [ 0.652878 0.126492 0.951537 ] [ 0.873508 0.347122 0.548463 ] [ 0.373508 0.152878 0.701537 ] [ 0.626492 0.847122 0.201537 ] [ 0.152878 0.373508 0.298463 ] [ 0.847122 0.626492 0.798463 ] [ 0.126492 0.652878 0.048463 ] [ 0.524153 0.520465 0.374122 ] [ 0.475847 0.479535 0.874122 ] [ 0.520465 0.524153 0.625878 ] [ 0.020465 0.975847 0.624122 ] [ 0.979535 0.024153 0.124122 ] [ 0.975847 0.020465 0.375878 ] [ 0.024153 0.979535 0.875878 ] [ 0.479535 0.475847 0.125878 ] [ 0.785816 0.30752 0.06548 ] [ 0.19248 0.285816 0.81548 ] [ 0.80752 0.714184 0.31548 ] [ 0.285816 0.19248 0.18452 ] [ 0.714184 0.80752 0.68452 ] [ 0.214184 0.69248 0.56548 ] [ 0.30752 0.785816 0.93452 ] [ 0.69248 0.214184 0.43452 ] ] } "species" { "source-value" [ "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.36388053 "source-unit" "angstrom" } "c" { "source-value" 20.0125215 "source-unit" "angstrom" } }