{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4/nbm" } "basis-atom-coordinates" { "source-value" [ [ 0.327929 0.172071 0.599048 ] [ 0.721131 0.778869 0.129837 ] [ 0.5 0.5 0.72616 ] [ 0.278869 0.778869 0.870163 ] [ 0.827929 0.327929 0.599048 ] [ 0.172071 0.327929 0.400952 ] [ 0.672071 0.827929 0.599048 ] [ 0.221131 0.721131 0.129837 ] [ 0.278869 0.221131 0.129837 ] [ 0.778869 0.721131 0.870163 ] [ 0.672071 0.172071 0.400952 ] [ 0.778869 0.278869 0.129837 ] [ 0.5 0.5 0 ] [ 0 0 0.72616 ] [ 0.172071 0.672071 0.599048 ] [ 0.827929 0.672071 0.400952 ] [ 0.721131 0.221131 0.870163 ] [ 0.327929 0.827929 0.400952 ] [ 0.221131 0.278869 0.870163 ] [ 0 0 0 ] [ 0.5 0.5 0.27384 ] [ 0 0 0.27384 ] [ 0.5 0 0.258402 ] [ 0 0.5 0.741598 ] [ 0.5 0 0.741598 ] [ 0.5 0 0 ] [ 0 0 0.5 ] [ 0 0.5 0.258402 ] [ 0.5 0.5 0.5 ] [ 0 0.5 0 ] [ 0 0 0.856035 ] [ 0.5 0.5 0.856035 ] [ 0.144557 0.355443 0.682993 ] [ 0.855443 0.355443 0.317007 ] [ 0.644557 0.144557 0.682993 ] [ 0 0 0.143965 ] [ 0.644557 0.855443 0.317007 ] [ 0.144557 0.644557 0.317007 ] [ 0.355443 0.855443 0.682993 ] [ 0.855443 0.644557 0.682993 ] [ 0.355443 0.144557 0.317007 ] [ 0.5 0.5 0.143965 ] ] } "species" { "source-value" [ "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "N" "N" "N" "N" "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" 7.32711959 "source-unit" "angstrom" } "c" { "source-value" 18.85333081 "source-unit" "angstrom" } }