{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4_2/mbc" } "basis-atom-coordinates" { "source-value" [ [ 0.745934 0.438324 0 ] [ 0.254066 0.561676 0 ] [ 0.561676 0.745934 0.5 ] [ 0.438324 0.254066 0.5 ] [ 0.754066 0.938324 0 ] [ 0.245934 0.061676 0 ] [ 0.061676 0.754066 0.5 ] [ 0.938324 0.245934 0.5 ] ] } "species" { "source-value" [ "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 10.45180663 "source-unit" "angstrom" } "c" { "source-value" 8.5896147 "source-unit" "angstrom" } }