{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4_32_12" } "basis-atom-coordinates" { "source-value" [ [ 0.984516 0.752393 0.356168 ] [ 0.247607 0.015484 0.143832 ] [ 0.252393 0.515484 0.606168 ] [ 0.515484 0.252393 0.393832 ] [ 0.484516 0.747607 0.893832 ] [ 0.747607 0.484516 0.106168 ] [ 0.752393 0.984516 0.643832 ] [ 0.015484 0.247607 0.856168 ] [ 0.967419 0.753963 0.893116 ] [ 0.246037 0.032581 0.606884 ] [ 0.253963 0.532581 0.143116 ] [ 0.532581 0.253963 0.856884 ] [ 0.467419 0.746037 0.356884 ] [ 0.746037 0.467419 0.643116 ] [ 0.753963 0.967419 0.106884 ] [ 0.032581 0.246037 0.393116 ] [ 0.997483 0.254616 0.617939 ] [ 0.298163 0.298163 0 ] [ 0.245384 0.497483 0.367939 ] [ 0.254616 0.997483 0.382061 ] [ 0.201837 0.798163 0.75 ] [ 0.502517 0.754616 0.132061 ] [ 0.497483 0.245384 0.632061 ] [ 0.798163 0.201837 0.25 ] [ 0.745384 0.002517 0.882061 ] [ 0.754616 0.502517 0.867939 ] [ 0.701837 0.701837 0.5 ] [ 0.002517 0.745384 0.117939 ] ] } "species" { "source-value" [ "Ba" "Ba" "Ba" "Ba" "Ba" "Ba" "Ba" "Ba" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "O" "O" "O" "O" "O" "O" "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" 7.18098152 "source-unit" "angstrom" } "c" { "source-value" 11.10306487 "source-unit" "angstrom" } }