{ "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 0.247825 0.25 ] [ 0 0.752175 0.75 ] [ 0.5 0.747825 0.25 ] [ 0.5 0.252175 0.75 ] [ 0 0 0.5 ] [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0.5 0.5 0 ] [ 0.5 0.964742 0.75 ] [ 0.5 0.035258 0.25 ] [ 0 0.464742 0.75 ] [ 0 0.535258 0.25 ] [ 0 0.921055 0.25 ] [ 0 0.078945 0.75 ] [ 0.5 0.86207 0.550903 ] [ 0.5 0.86207 0.949097 ] [ 0.5 0.13793 0.050903 ] [ 0.5 0.13793 0.449097 ] [ 0.5 0.421055 0.25 ] [ 0.5 0.578945 0.75 ] [ 0 0.36207 0.550903 ] [ 0 0.36207 0.949097 ] [ 0 0.63793 0.050903 ] [ 0 0.63793 0.449097 ] ] } "species" { "source-value" [ "Ba" "Ba" "Ba" "Ba" "Gd" "Gd" "Gd" "Gd" "Au" "Au" "Au" "Au" "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" 4.28030467 "source-unit" "angstrom" } "b" { "source-value" 14.36304676 "source-unit" "angstrom" } "c" { "source-value" 10.84506816 "source-unit" "angstrom" } }