{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4_2/mcm" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.5 0.75 ] [ 0.5 0.5 0.25 ] [ 0 0 0 ] [ 0 0 0.5 ] [ 0.182123 0.817877 0.864449 ] [ 0.817877 0.182123 0.864449 ] [ 0.817877 0.817877 0.635551 ] [ 0.182123 0.182123 0.635551 ] [ 0.256829 0.743171 0.5 ] [ 0.743171 0.743171 0 ] [ 0.256829 0.256829 0 ] [ 0.743171 0.256829 0.5 ] [ 0.182123 0.182123 0.364449 ] [ 0.182123 0.817877 0.135551 ] [ 0.817877 0.182123 0.135551 ] [ 0.817877 0.817877 0.364449 ] ] } "species" { "source-value" [ "K" "K" "Nb" "Nb" "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" 5.35710148 "source-unit" "angstrom" } "c" { "source-value" 10.04510866 "source-unit" "angstrom" } }