{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-3m1" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.666667 0.333333 0.37027 ] [ 0.333333 0.666667 0.62973 ] [ 0.666667 0.333333 0.736826 ] [ 0.333333 0.666667 0.263174 ] ] } "species" { "source-value" [ "Ba" "Cd" "Cd" "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" 4.60044046 "source-unit" "angstrom" } "c" { "source-value" 7.78662638 "source-unit" "angstrom" } }