{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P6_3mc" } "basis-atom-coordinates" { "source-value" [ [ 0.666667 0.333333 0.507806 ] [ 0.333333 0.666667 0.007806 ] [ 0 0 0.681581 ] [ 0 0 0.181581 ] [ 0.666667 0.333333 0.84426 ] [ 0.333333 0.666667 0.34426 ] [ 0 0 0.586764 ] [ 0 0 0.086764 ] ] } "species" { "source-value" [ "Cd" "Cd" "H" "H" "Cl" "Cl" "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" 3.73493569731 "source-unit" "angstrom" } "c" { "source-value" 10.41954377 "source-unit" "angstrom" } }