{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/m" } "basis-atom-coordinates" { "source-value" [ [ 0 0.304616 0.5 ] [ 0 0.695384 0.5 ] [ 0.5 0.804616 0.5 ] [ 0.5 0.195384 0.5 ] [ 0.773334 0 0.091596 ] [ 0.226666 0 0.908404 ] [ 0.273334 0.5 0.091596 ] [ 0.726666 0.5 0.908404 ] [ 0.234995 0.154789 0.722493 ] [ 0.765005 0.154789 0.277507 ] [ 0.765005 0.845211 0.277507 ] [ 0.234995 0.845211 0.722493 ] [ 0 0 0 ] [ 0.386762 0 0.216287 ] [ 0.613238 0 0.783713 ] [ 0.734995 0.654789 0.722493 ] [ 0.265005 0.654789 0.277507 ] [ 0.265005 0.345211 0.277507 ] [ 0.734995 0.345211 0.722493 ] [ 0.5 0.5 0 ] [ 0.886762 0.5 0.216287 ] [ 0.113238 0.5 0.783713 ] ] } "species" { "source-value" [ "Cd" "Cd" "Cd" "Cd" "As" "As" "As" "As" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.11391993499 "source-unit" "angstrom" } "b" { "source-value" 9.24505753737 "source-unit" "angstrom" } "c" { "source-value" 4.95891967565 "source-unit" "angstrom" } "beta" { "source-value" 101.961081566 "source-unit" "degree" } }