{ "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 0.145435 0.75 ] [ 0 0.854565 0.25 ] [ 0.5 0.645435 0.75 ] [ 0.5 0.354565 0.25 ] [ 0.5 0.940098 0.75 ] [ 0.5 0.059902 0.25 ] [ 0 0.440098 0.75 ] [ 0 0.559902 0.25 ] ] } "species" { "source-value" [ "Ta" "Ta" "Ta" "Ta" "B" "B" "B" "B" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.29997806479 "source-unit" "angstrom" } "b" { "source-value" 8.71528510316 "source-unit" "angstrom" } "c" { "source-value" 3.16948225 "source-unit" "angstrom" } }