{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmcm" } "basis-atom-coordinates" { "source-value" [ [ 0 0.209328 0.415212 ] [ 0 0.790672 0.584788 ] [ 0 0.209328 0.084788 ] [ 0 0.790672 0.915212 ] [ 0.5 0.2293 0.75 ] [ 0.5 0.7707 0.25 ] [ 0.5 0.5 0 ] [ 0.5 0.5 0.5 ] [ 0.5 0.254252 0.991671 ] [ 0.5 0.745748 0.008329 ] [ 0.5 0.745748 0.491671 ] [ 0.5 0.254252 0.508329 ] [ 0 0.012433 0.75 ] [ 0 0.535219 0.75 ] [ 0 0.464781 0.25 ] [ 0 0.987567 0.25 ] ] } "species" { "source-value" [ "Ag" "Ag" "Ag" "Ag" "Hg" "Hg" "Hg" "Hg" "S" "S" "S" "S" "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" 4.67754365 "source-unit" "angstrom" } "b" { "source-value" 9.80469488 "source-unit" "angstrom" } "c" { "source-value" 9.96308165 "source-unit" "angstrom" } }