{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4/nmm" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0 0.161 ] [ 0 0.5 0.839 ] [ 0.5 0 0.410962 ] [ 0 0.5 0.589038 ] [ 0.5 0 0.722807 ] [ 0 0.5 0.277193 ] [ 0.5 0 0.926027 ] [ 0 0.5 0.073973 ] [ 0.5 0.5 0.725519 ] [ 0.5 0.5 0.274481 ] [ 0 0 0.725519 ] [ 0.5 0.5 0.5 ] [ 0 0 0.274481 ] [ 0 0 0.5 ] ] } "species" { "source-value" [ "Ca" "Ca" "Sm" "Sm" "Cu" "Cu" "Cl" "Cl" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.92161844 "source-unit" "angstrom" } "c" { "source-value" 13.57128338 "source-unit" "angstrom" } }