{ "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 0 0.273975 ] [ 0.5 0.5 0.726025 ] [ 0.5 0.5 0 ] [ 0 0 0.726025 ] [ 0.5 0.5 0.273975 ] [ 0 0 0 ] [ 0.5 0 0 ] [ 0 0.5 0 ] [ 0.5 0 0.240763 ] [ 0.5 0 0.759237 ] [ 0 0.5 0.5 ] [ 0 0.5 0.240763 ] [ 0 0.5 0.759237 ] [ 0.5 0 0.5 ] [ 0.82166 0.67834 0.8619 ] [ 0.835452 0.664548 0.374355 ] [ 0.32166 0.82166 0.8619 ] [ 0.32166 0.17834 0.1381 ] [ 0.835452 0.335452 0.625645 ] [ 0.82166 0.32166 0.1381 ] [ 0.164548 0.664548 0.625645 ] [ 0.664548 0.835452 0.625645 ] [ 0.335452 0.835452 0.374355 ] [ 0.164548 0.335452 0.374355 ] [ 0.67834 0.82166 0.1381 ] [ 0.67834 0.17834 0.8619 ] [ 0.335452 0.164548 0.625645 ] [ 0.17834 0.32166 0.8619 ] [ 0.17834 0.67834 0.1381 ] [ 0.664548 0.164548 0.374355 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "K" "K" "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" 8.31490101 "source-unit" "angstrom" } "c" { "source-value" 13.68195909 "source-unit" "angstrom" } }