{ "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" [ [ 0.333333 0.666667 0 ] [ 0.666667 0.333333 0.5 ] [ 0.43445 0.060849 0 ] [ 0.626399 0.56555 0 ] [ 0.939151 0.373601 0 ] [ 0.152747 0.274781 0 ] [ 0.122033 0.847253 0 ] [ 0.725219 0.877967 0 ] [ 0.382198 0.431403 0.5 ] [ 0.049204 0.617802 0.5 ] [ 0.568597 0.950796 0.5 ] [ 0.217055 0.094138 0.5 ] [ 0.877083 0.782945 0.5 ] [ 0.905862 0.122917 0.5 ] [ 0.407906 0.293806 0 ] [ 0.8859 0.592094 0 ] [ 0.706194 0.1141 0 ] [ 0.111998 0.406087 0.5 ] [ 0.294088 0.888002 0.5 ] [ 0.593913 0.705912 0.5 ] [ 0 0 0 ] ] } "species" { "source-value" [ "Er" "Er" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "P" "P" "P" "P" "P" "P" "P" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 9.02165125125 "source-unit" "angstrom" } "c" { "source-value" 3.6660438 "source-unit" "angstrom" } }