{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pc2_1b" } "basis-atom-coordinates" { "source-value" [ [ 0.681919 0.633499 0.373806 ] [ 0.318081 0.133499 0.626194 ] [ 0.318081 0.633499 0.873806 ] [ 0.681919 0.133499 0.126194 ] [ 0.287631 0.813265 0.167591 ] [ 0.287631 0.313265 0.332409 ] [ 0.712369 0.813265 0.667591 ] [ 0.712369 0.313265 0.832409 ] [ 0.084273 0.176062 0.355579 ] [ 0.084273 0.676062 0.144421 ] [ 0.915727 0.176062 0.855579 ] [ 0.915727 0.676062 0.644421 ] [ 0.188284 0.983491 0.088944 ] [ 0.811716 0.483491 0.911056 ] [ 0.811716 0.983491 0.588944 ] [ 0.188284 0.483491 0.411056 ] [ 0.240234 0.942806 0.904137 ] [ 0.759766 0.442806 0.095863 ] [ 0.759766 0.942806 0.404137 ] [ 0.240234 0.442806 0.595863 ] [ 0.556347 0.020287 0.868529 ] [ 0.443653 0.520287 0.131471 ] [ 0.443653 0.020287 0.368529 ] [ 0.556347 0.520287 0.631471 ] [ 0.748874 0.851998 0.847424 ] [ 0.251126 0.351998 0.152576 ] [ 0.251126 0.851998 0.347424 ] [ 0.748874 0.351998 0.652576 ] [ 0.580506 0.780502 0.122772 ] [ 0.419494 0.280502 0.877228 ] [ 0.419494 0.780502 0.622772 ] [ 0.580506 0.280502 0.377228 ] ] } "species" { "source-value" [ "Rb" "Rb" "Rb" "Rb" "P" "P" "P" "P" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "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" 7.06010936 "source-unit" "angstrom" } "b" { "source-value" 11.78553535 "source-unit" "angstrom" } "c" { "source-value" 12.37850181 "source-unit" "angstrom" } }