{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I4/m" } "basis-atom-coordinates" { "source-value" [ [ 0 0.5 0.25 ] [ 0 0.5 0.75 ] [ 0.5 0 0.75 ] [ 0.5 0 0.25 ] [ 0.5 0.5 0 ] [ 0 0 0 ] [ 0 0 0.5 ] [ 0.5 0.5 0.5 ] [ 0 0 0.230505 ] [ 0 0 0.769495 ] [ 0.733038 0.751021 0 ] [ 0.266962 0.248979 0 ] [ 0.751021 0.266962 0 ] [ 0.248979 0.733038 0 ] [ 0.5 0.5 0.730505 ] [ 0.5 0.5 0.269495 ] [ 0.233038 0.251021 0.5 ] [ 0.766962 0.748979 0.5 ] [ 0.251021 0.766962 0.5 ] [ 0.748979 0.233038 0.5 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "Cr" "Cr" "Cr" "Cr" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.96094197014 "source-unit" "angstrom" } "c" { "source-value" 8.6944048282 "source-unit" "angstrom" } }