{ "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" [ [ 0.25 0.5 0 ] [ 0.75 0.5 0 ] [ 0.5 0 0.25 ] [ 0.5 0 0.75 ] [ 0 0.75 0.5 ] [ 0 0.25 0.5 ] [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0 0.303947 0.153353 ] [ 0.5 0.346647 0.803947 ] [ 0.5 0.653353 0.196053 ] [ 0.653353 0.803947 0.5 ] [ 0.346647 0.803947 0.5 ] [ 0.196053 0.5 0.653353 ] [ 0.803947 0.5 0.653353 ] [ 0.153353 0 0.303947 ] [ 0.303947 0.153353 0 ] [ 0.696053 0.846647 0 ] [ 0.153353 0 0.696053 ] [ 0.696053 0.153353 0 ] [ 0.846647 0 0.303947 ] [ 0.846647 0 0.696053 ] [ 0.303947 0.846647 0 ] [ 0 0.696053 0.846647 ] [ 0 0.303947 0.846647 ] [ 0 0.696053 0.153353 ] [ 0.803947 0.5 0.346647 ] [ 0.196053 0.5 0.346647 ] [ 0.653353 0.196053 0.5 ] [ 0.346647 0.196053 0.5 ] [ 0.5 0.653353 0.803947 ] [ 0.5 0.346647 0.196053 ] [ 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 ] ] } "species" { "source-value" [ "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Rh" "Rh" "Rh" "Rh" "Rh" "Rh" "Rh" "Rh" ] } "a" { "source-value" 9.84313024 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 4.8795123375000005 "source-unit" "eV" } }