{ "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" [ [ 0.5 0.23776 0.75 ] [ 0.5 0.76224 0.25 ] [ 0 0.73776 0.75 ] [ 0 0.26224 0.25 ] [ 0 0 0.5 ] [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0.5 0.5 0 ] [ 0.5 0.963633 0.75 ] [ 0.5 0.036367 0.25 ] [ 0 0.463633 0.75 ] [ 0 0.536367 0.25 ] [ 0.5 0.111789 0.064341 ] [ 0.5 0.888211 0.564341 ] [ 0.5 0.111789 0.435659 ] [ 0.5 0.888211 0.935659 ] [ 0 0.046221 0.75 ] [ 0 0.953779 0.25 ] [ 0 0.611789 0.064341 ] [ 0 0.388211 0.564341 ] [ 0 0.611789 0.435659 ] [ 0 0.388211 0.935659 ] [ 0.5 0.546221 0.75 ] [ 0.5 0.453779 0.25 ] ] } "species" { "source-value" [ "Cs" "Cs" "Cs" "Cs" "Tm" "Tm" "Tm" "Tm" "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" 3.92703128 "source-unit" "angstrom" } "b" { "source-value" 15.57503766 "source-unit" "angstrom" } "c" { "source-value" 10.4026968 "source-unit" "angstrom" } }