{ "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" [ [ 0.666667 0.333333 0.5 ] [ 0.333333 0.666667 0 ] [ 0.374318 0.95415 0.5 ] [ 0.579832 0.625682 0.5 ] [ 0.04585 0.420168 0.5 ] [ 0.205313 0.111201 0.5 ] [ 0.905889 0.794687 0.5 ] [ 0.888799 0.094111 0.5 ] [ 0.149843 0.874727 0 ] [ 0.724884 0.850157 0 ] [ 0.125273 0.275116 0 ] [ 0.616352 0.050901 0 ] [ 0.43455 0.383648 0 ] [ 0.949099 0.56545 0 ] [ 0 0 0 ] [ 0.400605 0.113903 0 ] [ 0.713298 0.599395 0 ] [ 0.886097 0.286702 0 ] [ 0.601547 0.89883 0.5 ] [ 0.297284 0.398453 0.5 ] [ 0.10117 0.702716 0.5 ] ] } "species" { "source-value" [ "K" "K" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "As" "As" "As" "As" "As" "As" "As" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 9.54225478857 "source-unit" "angstrom" } "c" { "source-value" 3.83057829 "source-unit" "angstrom" } }