{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4/mmm" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0 0.5 ] [ 0 0.5 0.5 ] [ 0.5 0.5 0 ] [ 0 0 0.75705 ] [ 0 0 0.24295 ] [ 0.178978 0.178978 0.75985 ] [ 0.821022 0.821022 0.24015 ] [ 0.821022 0.178978 0.75985 ] [ 0.178978 0.821022 0.75985 ] [ 0.178978 0.178978 0.24015 ] [ 0.821022 0.821022 0.75985 ] [ 0.821022 0.178978 0.24015 ] [ 0.178978 0.821022 0.24015 ] [ 0.284842 0.715158 0.762889 ] [ 0.284842 0.284842 0.237111 ] [ 0.284842 0.284842 0.762889 ] [ 0.715158 0.715158 0.237111 ] [ 0.715158 0.284842 0.762889 ] [ 0.715158 0.715158 0.762889 ] [ 0.284842 0.715158 0.237111 ] [ 0.715158 0.284842 0.237111 ] ] } "species" { "source-value" [ "Rb" "Rb" "Ba" "Pt" "Pt" "C" "C" "C" "C" "C" "C" "C" "C" "N" "N" "N" "N" "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" 7.86332354 "source-unit" "angstrom" } "c" { "source-value" 7.02780852 "source-unit" "angstrom" } }