{ "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 ] [ 0.333333 0.666667 0.253519 ] [ 0.666667 0.333333 0.746481 ] [ 0.333333 0.666667 0.751927 ] [ 0.666667 0.333333 0.248073 ] [ 0.333333 0.666667 0.52959 ] [ 0.666667 0.333333 0.47041 ] ] } "species" { "source-value" [ "Ca" "Zn" "Zn" "P" "P" "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" 4.50111689062 "source-unit" "angstrom" } "c" { "source-value" 6.98263645859 "source-unit" "angstrom" } }