{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I-42d" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.5 0.5 ] [ 0.5 0 0.75 ] [ 0 0 0 ] [ 0 0.5 0.25 ] [ 0 0.5 0.75 ] [ 0 0 0.5 ] [ 0.5 0 0.25 ] [ 0.5 0.5 0 ] [ 0.25 0.722757 0.875 ] [ 0.222757 0.25 0.625 ] [ 0.75 0.277243 0.875 ] [ 0.777243 0.75 0.625 ] [ 0.75 0.222757 0.375 ] [ 0.722757 0.75 0.125 ] [ 0.25 0.777243 0.375 ] [ 0.277243 0.25 0.125 ] ] } "species" { "source-value" [ "Cd" "Cd" "Cd" "Cd" "Ge" "Ge" "Ge" "Ge" "As" "As" "As" "As" "As" "As" "As" "As" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.0598836143 "source-unit" "angstrom" } "c" { "source-value" 11.503993089 "source-unit" "angstrom" } }