{ "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 ] [ 0.812013 0.187987 0.5 ] [ 0.375973 0.187987 0.5 ] [ 0.333333 0.666667 0 ] [ 0.812013 0.624027 0.5 ] [ 0.192133 0.807867 0.5 ] [ 0.192133 0.384267 0.5 ] [ 0.534368 0.068736 0 ] [ 0.931264 0.465632 0 ] [ 0.534368 0.465632 0 ] [ 0.615733 0.807867 0.5 ] ] } "species" { "source-value" [ "Mg" "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" 7.38900040718 "source-unit" "angstrom" } "c" { "source-value" 3.63731842 "source-unit" "angstrom" } }