{ "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" [ [ 0.666667 0.333333 0.871595 ] [ 0.333333 0.666667 0.128405 ] [ 0 0 0 ] [ 0.666667 0.333333 0.305073 ] [ 0.333333 0.666667 0.694927 ] ] } "species" { "source-value" [ "Nb" "Nb" "C" "S" "S" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.28995963755 "source-unit" "angstrom" } "c" { "source-value" 9.32907465 "source-unit" "angstrom" } }