{ "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" [ [ 0.5 0.5 0.222178 ] [ 0 0 0.5 ] [ 0.5 0.5 0.777822 ] [ 0 0 0.222178 ] [ 0 0 0.777822 ] [ 0.5 0.5 0.5 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.5 0 0.741703 ] [ 0 0.5 0.258297 ] [ 0 0.5 0.741703 ] [ 0 0.5 0 ] [ 0.5 0 0.258297 ] [ 0.5 0 0 ] [ 0.328734 0.828734 0.360743 ] [ 0.341169 0.158831 0.1244 ] [ 0.658831 0.158831 0.8756 ] [ 0.658831 0.841169 0.1244 ] [ 0.158831 0.658831 0.1244 ] [ 0.171266 0.671266 0.639257 ] [ 0.828734 0.328734 0.639257 ] [ 0.328734 0.171266 0.639257 ] [ 0.671266 0.171266 0.360743 ] [ 0.341169 0.841169 0.8756 ] [ 0.841169 0.341169 0.1244 ] [ 0.158831 0.341169 0.8756 ] [ 0.828734 0.671266 0.360743 ] [ 0.171266 0.328734 0.360743 ] [ 0.841169 0.658831 0.8756 ] [ 0.671266 0.828734 0.639257 ] ] } "species" { "source-value" [ "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Ag" "Ag" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "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" 8.61537913 "source-unit" "angstrom" } "c" { "source-value" 13.7380386 "source-unit" "angstrom" } }