{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-hexagonal-crystal" "instance-id" 1 "space-group" { "source-value" "P6_3/mcm" } "basis-atom-coordinates" { "source-value" [ [ 0.330599 0.869439 0.073596 ] [ 0.538839 0.869439 0.926404 ] [ 0.130561 0.461161 0.426404 ] [ 0.869439 0.538839 0.926404 ] [ 0.461161 0.130561 0.073596 ] [ 0.461161 0.330599 0.573596 ] [ 0.130561 0.669401 0.926404 ] [ 0.461161 0.330599 0.926404 ] [ 0.669401 0.130561 0.573596 ] [ 0.461161 0.130561 0.426404 ] [ 0.330599 0.461161 0.573596 ] [ 0.869439 0.330599 0.426404 ] [ 0.538839 0.669401 0.426404 ] [ 0.330599 0.461161 0.926404 ] [ 0.330599 0.869439 0.426404 ] [ 0.669401 0.130561 0.926404 ] [ 0.538839 0.669401 0.073596 ] [ 0.130561 0.669401 0.573596 ] [ 0.130561 0.461161 0.073596 ] [ 0.869439 0.330599 0.073596 ] [ 0.669401 0.538839 0.426404 ] [ 0.869439 0.538839 0.573596 ] [ 0.538839 0.869439 0.573596 ] [ 0.669401 0.538839 0.073596 ] [ 0.584392 0.792196 0.5 ] [ 0.415608 0.207804 0 ] [ 0.792196 0.207804 0 ] [ 0.630993 0.630993 0.041727 ] [ 0.207804 0.792196 0 ] [ 0.154285 0.675658 0.75 ] [ 0.207804 0.415608 0 ] [ 0.845715 0.521373 0.75 ] [ 0.207804 0.792196 0.5 ] [ 0.792196 0.584392 0 ] [ 0.418907 0.837815 0 ] [ 0.478627 0.154285 0.25 ] [ 0 0.369007 0.041727 ] [ 0.630993 0 0.958273 ] [ 0.675658 0.154285 0.75 ] [ 0.418907 0.581093 0.5 ] [ 0.521373 0.845715 0.75 ] [ 0.584392 0.792196 0 ] [ 0.845715 0.324342 0.25 ] [ 0.581093 0.418907 0.5 ] [ 0.415608 0.207804 0.5 ] [ 0.837815 0.418907 0.5 ] [ 0.207804 0.415608 0.5 ] [ 0 0.630993 0.541727 ] [ 0 0.630993 0.958273 ] [ 0.630993 0 0.541727 ] [ 0 0.369007 0.458273 ] [ 0.418907 0.837815 0.5 ] [ 0.369007 0 0.041727 ] [ 0.324342 0.845715 0.25 ] [ 0.675658 0.521373 0.25 ] [ 0.478627 0.324342 0.75 ] [ 0.581093 0.418907 0 ] [ 0.154285 0.478627 0.25 ] [ 0.369007 0.369007 0.541727 ] [ 0.837815 0.418907 0 ] [ 0.521373 0.675658 0.25 ] [ 0.369007 0.369007 0.958273 ] [ 0.630993 0.630993 0.458273 ] [ 0.581093 0.162185 0 ] [ 0.162185 0.581093 0 ] [ 0.418907 0.581093 0 ] [ 0.369007 0 0.458273 ] [ 0.792196 0.207804 0.5 ] [ 0.792196 0.584392 0.5 ] [ 0.324342 0.478627 0.75 ] [ 0.581093 0.162185 0.5 ] [ 0.162185 0.581093 0.5 ] ] } "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "a" { "source-value" 13.7795576654 "source-unit" "angstrom" } "c" { "source-value" 9.03787307 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 7.904102345 "source-unit" "eV" } }