{ "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" [ [ 0.824766 0.324766 0 ] [ 0.324766 0.175234 0 ] [ 0.675234 0.824766 0 ] [ 0.175234 0.675234 0 ] [ 0 0 0 ] [ 0.5 0.5 0 ] [ 0.624306 0.124306 0 ] [ 0.124306 0.375694 0 ] [ 0.875694 0.624306 0 ] [ 0.375694 0.875694 0 ] [ 0.070655 0.215849 0.5 ] [ 0.215849 0.929345 0.5 ] [ 0.784151 0.070655 0.5 ] [ 0.929345 0.784151 0.5 ] [ 0.429345 0.715849 0.5 ] [ 0.570655 0.284151 0.5 ] [ 0.715849 0.570655 0.5 ] [ 0.284151 0.429345 0.5 ] [ 0.5 0 0.5 ] [ 0 0.5 0.5 ] ] } "species" { "source-value" [ "Sc" "Sc" "Sc" "Sc" "Fe" "Fe" "B" "B" "B" "B" "Rh" "Rh" "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" 9.32826805 "source-unit" "angstrom" } "c" { "source-value" 3.08426017 "source-unit" "angstrom" } }