{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/c" } "basis-atom-coordinates" { "source-value" [ [ 0 0.5 0.5 ] [ 0 0.5 0 ] [ 0.5 0 0.5 ] [ 0.5 0 0 ] [ 0.377354 0.149824 0.193071 ] [ 0.122646 0.649824 0.306929 ] [ 0.122646 0.350176 0.806929 ] [ 0.377354 0.850176 0.693071 ] [ 0.877354 0.649824 0.193071 ] [ 0.622646 0.149824 0.306929 ] [ 0.622646 0.850176 0.806929 ] [ 0.877354 0.350176 0.693071 ] ] } "species" { "source-value" [ "Pd" "Pd" "Pd" "Pd" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 13.9877875341 "source-unit" "angstrom" } "b" { "source-value" 4.79578097 "source-unit" "angstrom" } "c" { "source-value" 6.64543259341 "source-unit" "angstrom" } "beta" { "source-value" 102.706920137 "source-unit" "degree" } }