{ "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 0 ] [ 0 0 0.5 ] [ 0.5 0.5 0 ] [ 0.5 0.5 0.5 ] [ 0.5 0.235701 0.75 ] [ 0.5 0.764299 0.25 ] [ 0 0.735701 0.75 ] [ 0 0.264299 0.25 ] [ 0.5 0.959041 0.75 ] [ 0.5 0.040959 0.25 ] [ 0 0.459041 0.75 ] [ 0 0.540959 0.25 ] [ 0.5 0.885602 0.921182 ] [ 0 0.043013 0.75 ] [ 0 0.956987 0.25 ] [ 0.5 0.114398 0.078818 ] [ 0.5 0.114398 0.421182 ] [ 0.5 0.885602 0.578818 ] [ 0 0.385602 0.921182 ] [ 0.5 0.543013 0.75 ] [ 0.5 0.456987 0.25 ] [ 0 0.614398 0.078818 ] [ 0 0.614398 0.421182 ] [ 0 0.385602 0.578818 ] ] } "species" { "source-value" [ "Yb" "Yb" "Yb" "Yb" "Cs" "Cs" "Cs" "Cs" "Co" "Co" "Co" "Co" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.98740776 "source-unit" "angstrom" } "b" { "source-value" 15.62131994 "source-unit" "angstrom" } "c" { "source-value" 10.83576376 "source-unit" "angstrom" } }