{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-6" } "basis-atom-coordinates" { "source-value" [ [ 0.666667 0.333333 0.5 ] [ 0.333333 0.666667 0 ] [ 0.597517 0.717909 0.5 ] [ 0 0 0 ] [ 0.282091 0.879608 0.5 ] [ 0.120392 0.402483 0.5 ] [ 0.88221 0.57301 0 ] [ 0.42699 0.3092 0 ] [ 0.6908 0.11779 0 ] [ 0.553759 0.94663 0.5 ] [ 0.392872 0.446241 0.5 ] [ 0.913639 0.122708 0.5 ] [ 0.209069 0.086361 0.5 ] [ 0.877292 0.790931 0.5 ] [ 0.726008 0.890696 0 ] [ 0.109304 0.835311 0 ] [ 0.164689 0.273992 0 ] [ 0.427483 0.068545 0 ] [ 0.931455 0.358939 0 ] [ 0.641061 0.572517 0 ] [ 0.05337 0.607128 0.5 ] ] } "species" { "source-value" [ "Sc" "Sc" "P" "P" "P" "P" "P" "P" "P" "Ru" "Ru" "Ru" "Ru" "Ru" "Ru" "Ru" "Ru" "Ru" "Ru" "Ru" "Ru" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 9.36185393147 "source-unit" "angstrom" } "c" { "source-value" 3.917577 "source-unit" "angstrom" } }