{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cmcm" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.760615 0.25 ] [ 0.5 0.239385 0.75 ] [ 0 0.260615 0.25 ] [ 0 0.739385 0.75 ] [ 0 0 0 ] [ 0 0 0.5 ] [ 0.5 0.5 0 ] [ 0.5 0.5 0.5 ] [ 0.5 0.046868 0.25 ] [ 0.5 0.953132 0.75 ] [ 0 0.546868 0.25 ] [ 0 0.453132 0.75 ] [ 0.5 0.124236 0.037273 ] [ 0 0.938205 0.25 ] [ 0.5 0.124236 0.462727 ] [ 0.5 0.875764 0.537273 ] [ 0 0.061795 0.75 ] [ 0.5 0.875764 0.962727 ] [ 0 0.624236 0.037273 ] [ 0.5 0.438205 0.25 ] [ 0 0.624236 0.462727 ] [ 0 0.375764 0.537273 ] [ 0.5 0.561795 0.75 ] [ 0 0.375764 0.962727 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "Np" "Np" "Np" "Np" "Ag" "Ag" "Ag" "Ag" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.09672904 "source-unit" "angstrom" } "b" { "source-value" 14.13643464 "source-unit" "angstrom" } "c" { "source-value" 10.41709111 "source-unit" "angstrom" } }