{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-62m" } "basis-atom-coordinates" { "source-value" [ [ 0 0.617435 0.5 ] [ 0.382565 0.382565 0.5 ] [ 0 0.374843 0 ] [ 0.625157 0.625157 0 ] [ 0.374843 0 0 ] [ 0.617435 0 0.5 ] [ 0.333333 0.666667 0.758962 ] [ 0 0 0.5 ] [ 0.666667 0.333333 0.241038 ] [ 0.666667 0.333333 0.758962 ] [ 0.333333 0.666667 0.241038 ] ] } "species" { "source-value" [ "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "C" "C" "C" "C" "C" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.92562870437 "source-unit" "angstrom" } "c" { "source-value" 7.93759229 "source-unit" "angstrom" } }