{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-42m" } "basis-atom-coordinates" { "source-value" [ [ 0 0.5 0.254435 ] [ 0 0.5 0.745565 ] [ 0.5 0 0.745565 ] [ 0.5 0 0.254435 ] [ 0.5 0.5 0 ] [ 0 0 0.5 ] [ 0.226904 0.773096 0.112728 ] [ 0.272833 0.272833 0.382098 ] [ 0.272833 0.727167 0.617902 ] [ 0.727167 0.727167 0.382098 ] [ 0.773096 0.773096 0.887272 ] [ 0.727167 0.272833 0.617902 ] [ 0.773096 0.226904 0.112728 ] [ 0.226904 0.226904 0.887272 ] ] } "species" { "source-value" [ "In" "In" "In" "In" "In" "Ag" "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" 5.90050796 "source-unit" "angstrom" } "c" { "source-value" 12.04864496 "source-unit" "angstrom" } }