{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cmce" } "basis-atom-coordinates" { "source-value" [ [ 0.745013 0 0.139576 ] [ 0.754987 0 0.639576 ] [ 0.754987 0.5 0.860424 ] [ 0.745013 0.5 0.360424 ] [ 0.245013 0.5 0.139576 ] [ 0.254987 0.5 0.639576 ] [ 0.254987 0 0.860424 ] [ 0.245013 0 0.360424 ] [ 0.5 0.219505 0.5 ] [ 0.5 0.280495 0 ] [ 0 0.280495 0.5 ] [ 0 0.219505 0 ] [ 0 0.719505 0.5 ] [ 0 0.780495 0 ] [ 0.5 0.780495 0.5 ] [ 0.5 0.719505 0 ] [ 0.747085 0 0.312671 ] [ 0.752915 0 0.812671 ] [ 0.752915 0.5 0.687329 ] [ 0.747085 0.5 0.187329 ] [ 0.247085 0.5 0.312671 ] [ 0.252915 0.5 0.812671 ] [ 0.252915 0 0.687329 ] [ 0.247085 0 0.187329 ] ] } "species" { "source-value" [ "Nd" "Nd" "Nd" "Nd" "Nd" "Nd" "Nd" "Nd" "As" "As" "As" "As" "As" "As" "As" "As" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.69198326 "source-unit" "angstrom" } "b" { "source-value" 5.71891792 "source-unit" "angstrom" } "c" { "source-value" 18.13704361 "source-unit" "angstrom" } }