{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I4_1md" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.5 0.829435 ] [ 0.5 0 0.079435 ] [ 0 0 0.329435 ] [ 0 0.5 0.579435 ] [ 0 0 0.913284 ] [ 0 0.5 0.163284 ] [ 0.5 0.5 0.413284 ] [ 0.5 0 0.663284 ] [ 0 0.5 0.99768 ] [ 0.5 0.5 0.24768 ] [ 0.5 0 0.49768 ] [ 0 0 0.74768 ] ] } "species" { "source-value" [ "Sm" "Sm" "Sm" "Sm" "Al" "Al" "Al" "Al" "Si" "Si" "Si" "Si" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.17956414103 "source-unit" "angstrom" } "c" { "source-value" 14.5387491871 "source-unit" "angstrom" } }