{ "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" [ [ 0.113306 0.613306 0.5 ] [ 0.613306 0.886694 0.5 ] [ 0.386694 0.113306 0.5 ] [ 0.886694 0.386694 0.5 ] [ 0.326128 0.826128 0.5 ] [ 0.826128 0.673872 0.5 ] [ 0.173872 0.326128 0.5 ] [ 0.673872 0.173872 0.5 ] [ 0.5 0.5 0 ] [ 0 0 0 ] [ 0.343553 0.495755 0.5 ] [ 0.656447 0.504245 0.5 ] [ 0.504245 0.343553 0.5 ] [ 0.495755 0.656447 0.5 ] [ 0.995755 0.843553 0.5 ] [ 0.843553 0.004245 0.5 ] [ 0.156447 0.995755 0.5 ] [ 0.004245 0.156447 0.5 ] [ 0.337338 0.299965 0 ] [ 0.662662 0.700035 0 ] [ 0.700035 0.337338 0 ] [ 0.299965 0.662662 0 ] [ 0.799965 0.837338 0 ] [ 0.837338 0.200035 0 ] [ 0.162662 0.799965 0 ] [ 0.200035 0.162662 0 ] [ 0.433201 0.933201 0 ] [ 0.933201 0.566799 0 ] [ 0.566799 0.066799 0 ] [ 0.066799 0.433201 0 ] [ 0.246144 0.979376 0 ] [ 0.753856 0.020624 0 ] [ 0.020624 0.246144 0 ] [ 0.979376 0.753856 0 ] [ 0.479376 0.746144 0 ] [ 0.746144 0.520624 0 ] [ 0.253856 0.479376 0 ] [ 0.520624 0.253856 0 ] ] } "species" { "source-value" [ "Tm" "Tm" "Tm" "Tm" "Tm" "Tm" "Tm" "Tm" "Tm" "Tm" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Rh" "Rh" "Rh" "Rh" "Rh" "Rh" "Rh" "Rh" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 13.01157988 "source-unit" "angstrom" } "c" { "source-value" 4.26821846 "source-unit" "angstrom" } }