{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P6_3/mmc" } "basis-atom-coordinates" { "source-value" [ [ 0.666667 0.333333 0.25 ] [ 0.333333 0.666667 0.75 ] [ 0 0 0.75 ] [ 0 0 0.25 ] [ 0.165393 0.834607 0.521477 ] [ 0.165393 0.330785 0.521477 ] [ 0.669215 0.834607 0.521477 ] [ 0.330785 0.165393 0.021477 ] [ 0.333333 0.666667 0.101379 ] [ 0.666667 0.333333 0.601379 ] [ 0.666667 0.333333 0.898621 ] [ 0.333333 0.666667 0.398621 ] [ 0.5 0 0 ] [ 0.5 0.5 0.5 ] [ 0 0.5 0.5 ] [ 0 0.5 0 ] [ 0.5 0.5 0 ] [ 0.5 0 0.5 ] [ 0.327606 0.957791 0.25 ] [ 0.369815 0.327606 0.75 ] [ 0.957791 0.630185 0.75 ] [ 0.042209 0.369815 0.25 ] [ 0.630185 0.672394 0.25 ] [ 0.369815 0.042209 0.75 ] [ 0.672394 0.630185 0.75 ] [ 0.672394 0.042209 0.75 ] [ 0.957791 0.327606 0.75 ] [ 0.042209 0.672394 0.25 ] [ 0.630185 0.957791 0.25 ] [ 0.327606 0.369815 0.25 ] [ 0.165393 0.330785 0.978523 ] [ 0.834607 0.165393 0.478523 ] [ 0.330785 0.165393 0.478523 ] [ 0.669215 0.834607 0.978523 ] [ 0.165393 0.834607 0.978523 ] [ 0.834607 0.669215 0.021477 ] [ 0.834607 0.165393 0.021477 ] [ 0.834607 0.669215 0.478523 ] ] } "species" { "source-value" [ "Er" "Er" "Er" "Er" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "short-name" { "source-value" [ "hcp" ] } "a" { "source-value" 8.24818115085 "source-unit" "angstrom" } "c" { "source-value" 7.99383672 "source-unit" "angstrom" } }