{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4/nmm" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0 ] [ 0.5 0 0.758905 ] [ 0 0.5 0.241095 ] [ 0.5 0.5 0.5 ] [ 0 0 0.5 ] [ 0 0.5 0.743702 ] [ 0.5 0 0.256298 ] [ 0.730143 0.230143 0.328265 ] [ 0.769857 0.730143 0.671735 ] [ 0.730143 0.769857 0.328265 ] [ 0.769857 0.269857 0.671735 ] [ 0.269857 0.230143 0.328265 ] [ 0.5 0 0.033598 ] [ 0 0.5 0.966402 ] [ 0.269857 0.769857 0.328265 ] [ 0.230143 0.269857 0.671735 ] [ 0.230143 0.730143 0.671735 ] ] } "species" { "source-value" [ "K" "K" "Na" "Na" "Pr" "Pr" "Nb" "Nb" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.8168455 "source-unit" "angstrom" } "c" { "source-value" 8.39176171 "source-unit" "angstrom" } }