{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-cubic-crystal" "instance-id" 1 "space-group" { "source-value" "Pm-3n" } "basis-atom-coordinates" { "source-value" [ [ 0 0.25 0.5 ] [ 0 0.75 0.5 ] [ 0.5 0 0.75 ] [ 0.5 0 0.25 ] [ 0.75 0.5 0 ] [ 0.25 0.5 0 ] [ 0.5 0.634594 0.75498 ] [ 0.365406 0.75498 0.5 ] [ 0.634594 0.24502 0.5 ] [ 0 0.25498 0.134594 ] [ 0.134594 0 0.25498 ] [ 0.865406 0 0.25498 ] [ 0 0.74502 0.865406 ] [ 0.865406 0 0.74502 ] [ 0 0.74502 0.134594 ] [ 0 0.25498 0.865406 ] [ 0.134594 0 0.74502 ] [ 0.25498 0.865406 0 ] [ 0.74502 0.134594 0 ] [ 0.74502 0.865406 0 ] [ 0.634594 0.75498 0.5 ] [ 0.365406 0.24502 0.5 ] [ 0.5 0.365406 0.75498 ] [ 0.5 0.365406 0.24502 ] [ 0.24502 0.5 0.634594 ] [ 0.24502 0.5 0.365406 ] [ 0.25 0.25 0.25 ] [ 0.75 0.25 0.75 ] [ 0.75 0.75 0.25 ] [ 0.25 0.75 0.75 ] [ 0.75 0.75 0.75 ] [ 0.25 0.75 0.25 ] [ 0.25 0.25 0.75 ] [ 0.75 0.25 0.25 ] [ 0.25 0 0.5 ] [ 0.75 0 0.5 ] [ 0 0.5 0.25 ] [ 0 0.5 0.75 ] [ 0.5 0.75 0 ] [ 0.5 0.25 0 ] [ 0.5 0.634594 0.24502 ] [ 0.75498 0.5 0.365406 ] [ 0.75498 0.5 0.634594 ] [ 0.25498 0.134594 0 ] [ 0.5 0.5 0.5 ] [ 0 0 0 ] ] } "species" { "source-value" [ "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Hg" "Hg" "Hg" "Hg" "Hg" "Hg" "Hg" "Hg" "Hg" "Hg" "Hg" "Hg" "Hg" "Hg" "Hg" "Hg" "Hg" "Hg" "Hg" "Hg" "Hg" "Hg" "Hg" "Hg" "Hg" "Hg" "Hg" "Hg" "Hg" "Hg" "Hg" "Hg" "Hg" "Hg" "Hg" "Hg" "Hg" "Hg" "Hg" "Hg" ] } "a" { "source-value" 11.65423039 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 0.5405312136956522 "source-unit" "eV" } }