{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4/mbm" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0 ] [ 0.323703 0.823703 0.5 ] [ 0.823703 0.676297 0.5 ] [ 0.176297 0.323703 0.5 ] [ 0.676297 0.176297 0.5 ] [ 0.5 0 0 ] [ 0 0.5 0 ] [ 0.132195 0.632195 0.787093 ] [ 0.867805 0.367805 0.787093 ] [ 0.367805 0.132195 0.787093 ] [ 0.632195 0.867805 0.787093 ] [ 0.132195 0.632195 0.212907 ] [ 0.632195 0.867805 0.212907 ] [ 0.367805 0.132195 0.212907 ] [ 0.867805 0.367805 0.212907 ] [ 0 0 0.5 ] [ 0.5 0.5 0.5 ] ] } "species" { "source-value" [ "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Pd" "Pd" "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" 7.61217891 "source-unit" "angstrom" } "c" { "source-value" 6.54584899 "source-unit" "angstrom" } }