{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Imma" } "basis-atom-coordinates" { "source-value" [ [ 0 0.75 0.891125 ] [ 0 0.25 0.108875 ] [ 0.5 0.25 0.391125 ] [ 0.5 0.75 0.608875 ] [ 0.5 0.5 0 ] [ 0.5 0 0 ] [ 0 0.75 0.113453 ] [ 0 0.25 0.886547 ] [ 0.5 0.519658 0.198963 ] [ 0.5 0.480342 0.801037 ] [ 0.5 0.019658 0.801037 ] [ 0.5 0.980342 0.198963 ] [ 0 0 0.5 ] [ 0 0.5 0.5 ] [ 0.5 0.25 0.613453 ] [ 0.5 0.75 0.386547 ] [ 0 0.019658 0.698963 ] [ 0 0.980342 0.301037 ] [ 0 0.519658 0.301037 ] [ 0 0.480342 0.698963 ] ] } "species" { "source-value" [ "Np" "Np" "Np" "Np" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.42214332342 "source-unit" "angstrom" } "b" { "source-value" 6.14395919987 "source-unit" "angstrom" } "c" { "source-value" 13.8253362832 "source-unit" "angstrom" } }