{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cmc2_1" } "basis-atom-coordinates" { "source-value" [ [ 0 0.848473 0.000173 ] [ 0 0.151527 0.500173 ] [ 0.5 0.348473 0.000173 ] [ 0.5 0.651527 0.500173 ] [ 0 0.18219 0.124827 ] [ 0 0.81781 0.624827 ] [ 0.5 0.68219 0.124827 ] [ 0.5 0.31781 0.624827 ] ] } "species" { "source-value" [ "Cd" "Cd" "Cd" "Cd" "Te" "Te" "Te" "Te" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.72108159 "source-unit" "angstrom" } "b" { "source-value" 8.07229932 "source-unit" "angstrom" } "c" { "source-value" 7.63690305 "source-unit" "angstrom" } }