{ "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 0 0.25 ] [ 0 0 0.75 ] [ 0.333333 0.666667 0.25 ] [ 0.333333 0.666667 0.75 ] [ 0.666667 0.333333 0.75 ] [ 0.666667 0.333333 0.25 ] [ 0.290536 0.290536 0.75 ] [ 0 0.290536 0.25 ] [ 0.709464 0.709464 0.25 ] [ 0 0.709464 0.75 ] [ 0.709464 0 0.75 ] [ 0.290536 0 0.25 ] [ 0.405942 0.202971 0.5 ] [ 0.797029 0.594058 0.5 ] [ 0.797029 0.202971 0.5 ] [ 0.594058 0.797029 0.5 ] [ 0.202971 0.405942 0.5 ] [ 0.202971 0.797029 0.5 ] [ 0.405942 0.202971 0 ] [ 0.797029 0.594058 0 ] [ 0.202971 0.797029 0 ] [ 0.594058 0.797029 0 ] [ 0.202971 0.405942 0 ] [ 0.797029 0.202971 0 ] ] } "species" { "source-value" [ "Tl" "Tl" "Tl" "Tl" "Tl" "Tl" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" ] } "a" { "source-value" 10.4862377505 "source-unit" "angstrom" } "c" { "source-value" 7.43070426 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 2.9755830654166666 "source-unit" "eV" } }