{ "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 0.195889 ] [ 0 0 0.804111 ] [ 0.666667 0.333333 0.131427 ] [ 0.333333 0.666667 0.868573 ] [ 0.333333 0.666667 0.642638 ] [ 0.666667 0.333333 0.357362 ] ] } "species" { "source-value" [ "Zr" "Zr" "N" "N" "Cl" "Cl" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.36295113 "source-unit" "angstrom" } "c" { "source-value" 12.29768455 "source-unit" "angstrom" } }