{ "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/m" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0 0.5 ] [ 0.304233 0.485772 0.16682 ] [ 0.695767 0.514228 0.66682 ] [ 0.181539 0.695767 0.16682 ] [ 0.485772 0.181539 0.83318 ] [ 0.514228 0.818461 0.16682 ] [ 0.181539 0.695767 0.33318 ] [ 0.304233 0.485772 0.33318 ] [ 0.818461 0.304233 0.83318 ] [ 0.514228 0.818461 0.33318 ] [ 0.485772 0.181539 0.66682 ] [ 0.695767 0.514228 0.83318 ] [ 0.818461 0.304233 0.66682 ] [ 0.666667 0.333333 0.75 ] [ 0.333333 0.666667 0.25 ] [ 0.735165 0.765021 0.897389 ] [ 0.802645 0.087599 0.75 ] [ 0.431567 0.949281 0.75 ] [ 0.970144 0.735165 0.102611 ] [ 0.36886 0.88977 0.07696 ] [ 0.029856 0.264835 0.897389 ] [ 0.88977 0.52091 0.92304 ] [ 0.234979 0.970144 0.897389 ] [ 0.36886 0.88977 0.42304 ] [ 0.47909 0.36886 0.57696 ] [ 0.63114 0.11023 0.57696 ] [ 0.087599 0.284954 0.25 ] [ 0.517714 0.568433 0.75 ] [ 0.52091 0.63114 0.42304 ] [ 0.47909 0.36886 0.92304 ] [ 0.264835 0.234979 0.102611 ] [ 0.050719 0.482286 0.75 ] [ 0.52091 0.63114 0.07696 ] [ 0.568433 0.050719 0.25 ] [ 0.11023 0.47909 0.07696 ] [ 0.482286 0.431567 0.25 ] [ 0.264835 0.234979 0.397389 ] [ 0.63114 0.11023 0.92304 ] [ 0.765021 0.029856 0.397389 ] [ 0.765021 0.029856 0.102611 ] [ 0.949281 0.517714 0.25 ] [ 0.234979 0.970144 0.602611 ] [ 0.88977 0.52091 0.57696 ] [ 0.029856 0.264835 0.602611 ] [ 0.197355 0.912401 0.25 ] [ 0.912401 0.715046 0.75 ] [ 0.970144 0.735165 0.397389 ] [ 0.715046 0.802645 0.25 ] [ 0.11023 0.47909 0.42304 ] [ 0.284954 0.197355 0.75 ] [ 0.735165 0.765021 0.602611 ] ] } "species" { "source-value" [ "Na" "Na" "W" "W" "W" "W" "W" "W" "W" "W" "W" "W" "W" "W" "C" "C" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" ] } "a" { "source-value" 9.27185507593 "source-unit" "angstrom" } "c" { "source-value" 18.06025673 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 5.55590623923077 "source-unit" "eV" } }