{ "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 0.217596 0.098979 ] [ 0 0.217596 0.401021 ] [ 0 0.782404 0.598979 ] [ 0 0.782404 0.901021 ] [ 0.5 0.790088 0.25 ] [ 0.5 0.5 0.5 ] [ 0.5 0.209912 0.75 ] [ 0.5 0.5 0 ] [ 0.5 0.759417 0.497692 ] [ 0.5 0.240583 0.502308 ] [ 0.5 0.759417 0.002308 ] [ 0.5 0.240583 0.997692 ] [ 0 0.977717 0.75 ] [ 0 0.022283 0.25 ] [ 0 0.567024 0.75 ] [ 0 0.432976 0.25 ] ] } "species" { "source-value" [ "Cu" "Cu" "Cu" "Cu" "Hg" "Hg" "Hg" "Hg" "Se" "Se" "Se" "Se" "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" 4.32798859 "source-unit" "angstrom" } "b" { "source-value" 9.82333519 "source-unit" "angstrom" } "c" { "source-value" 10.30739872 "source-unit" "angstrom" } }