{ "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 0.642561 0.5 ] [ 0.357439 0.357439 0.5 ] [ 0.642561 0 0.5 ] [ 0 0.307123 0 ] [ 0.692877 0.692877 0 ] [ 0.307123 0 0 ] [ 0.666667 0.333333 0.181137 ] [ 0.666667 0.333333 0.818863 ] [ 0.333333 0.666667 0.818863 ] [ 0.333333 0.666667 0.181137 ] [ 0 0 0.67987 ] [ 0 0 0.32013 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "K" "K" "S" "S" "S" "S" "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" 8.58608286184 "source-unit" "angstrom" } "c" { "source-value" 5.92085433 "source-unit" "angstrom" } }