{ "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 0.763608 0.75 ] [ 0.5 0.236392 0.25 ] [ 0 0.263608 0.75 ] [ 0 0.736392 0.25 ] [ 0.5 0.157835 0.56859 ] [ 0 0.908182 0.75 ] [ 0.5 0.842165 0.43141 ] [ 0.5 0.157835 0.93141 ] [ 0.5 0.842165 0.06859 ] [ 0 0.091818 0.25 ] [ 0 0.657835 0.56859 ] [ 0.5 0.408182 0.75 ] [ 0 0.342165 0.43141 ] [ 0 0.657835 0.93141 ] [ 0 0.342165 0.06859 ] [ 0.5 0.591818 0.25 ] ] } "species" { "source-value" [ "Np" "Np" "Np" "Np" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.09887164 "source-unit" "angstrom" } "b" { "source-value" 14.20656246 "source-unit" "angstrom" } "c" { "source-value" 9.20436942 "source-unit" "angstrom" } }