{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I-4" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.5 0 ] [ 0 0.5 0.75 ] [ 0 0 0.5 ] [ 0.5 0 0.25 ] [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0.262851 0.72507 0.13903 ] [ 0.737149 0.27493 0.13903 ] [ 0.27493 0.262851 0.86097 ] [ 0.72507 0.737149 0.86097 ] [ 0.762851 0.22507 0.63903 ] [ 0.237149 0.77493 0.63903 ] [ 0.77493 0.762851 0.36097 ] [ 0.22507 0.237149 0.36097 ] ] } "species" { "source-value" [ "Ga" "Ga" "Ga" "Ga" "Hg" "Hg" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.88059431837 "source-unit" "angstrom" } "c" { "source-value" 11.0221081549 "source-unit" "angstrom" } }