{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P312" } "basis-atom-coordinates" { "source-value" [ [ 0.666667 0.333333 0.5 ] [ 0 0 0.5 ] [ 0.494568 0.505432 0 ] [ 0.010864 0.505432 0 ] [ 0.494568 0.989136 0 ] [ 0.660395 0.667467 0.785383 ] [ 0.332533 0.339605 0.214617 ] [ 0.660395 0.992927 0.214617 ] [ 0.007073 0.667467 0.214617 ] [ 0.007073 0.339605 0.785383 ] [ 0.332533 0.992927 0.785383 ] [ 0.764424 0.764949 0.662271 ] [ 0.235051 0.999475 0.662271 ] [ 0.764424 0.999475 0.337729 ] [ 0.000525 0.764949 0.337729 ] [ 0.235051 0.235576 0.337729 ] [ 0.000525 0.235576 0.662271 ] ] } "species" { "source-value" [ "K" "Ni" "Au" "Au" "Au" "C" "C" "C" "C" "C" "C" "N" "N" "N" "N" "N" "N" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.00736698131 "source-unit" "angstrom" } "c" { "source-value" 7.59430566 "source-unit" "angstrom" } }