{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-6m2" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.811134 0.188866 0.5 ] [ 0.377732 0.188866 0.5 ] [ 0.333333 0.666667 0 ] [ 0.811134 0.622268 0.5 ] [ 0.199671 0.800329 0.5 ] [ 0.199671 0.399342 0.5 ] [ 0.53482 0.069641 0 ] [ 0.930359 0.46518 0 ] [ 0.53482 0.46518 0 ] [ 0.600658 0.800329 0.5 ] ] } "species" { "source-value" [ "Ca" "As" "As" "As" "As" "Rh" "Rh" "Rh" "Rh" "Rh" "Rh" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.29731810256 "source-unit" "angstrom" } "c" { "source-value" 3.81592037 "source-unit" "angstrom" } }