{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-cubic-crystal" "instance-id" 1 "space-group" { "source-value" "Fm-3c" } "basis-atom-coordinates" { "source-value" [ [ 0.75 0.25 0.25 ] [ 0.25 0.75 0.75 ] [ 0.75 0.75 0.75 ] [ 0.25 0.25 0.25 ] [ 0.25 0.25 0.75 ] [ 0.75 0.75 0.25 ] [ 0.25 0.75 0.25 ] [ 0.75 0.25 0.75 ] [ 0 0.320047 0.880553 ] [ 0.880553 0.820047 0 ] [ 0.119447 0.820047 0 ] [ 0.820047 0 0.880553 ] [ 0.179953 0 0.880553 ] [ 0 0.880553 0.179953 ] [ 0 0.119447 0.820047 ] [ 0.320047 0.119447 0 ] [ 0.119447 0 0.679953 ] [ 0.880553 0 0.679953 ] [ 0.679953 0.119447 0 ] [ 0.679953 0.880553 0 ] [ 0.119447 0 0.320047 ] [ 0.320047 0.880553 0 ] [ 0.880553 0 0.320047 ] [ 0.820047 0 0.119447 ] [ 0.119447 0.179953 0 ] [ 0 0.119447 0.179953 ] [ 0 0.880553 0.820047 ] [ 0.880553 0.179953 0 ] [ 0.179953 0 0.119447 ] [ 0 0.320047 0.119447 ] [ 0 0.679953 0.880553 ] [ 0 0.679953 0.119447 ] [ 0 0 0 ] [ 0 0.5 0 ] [ 0 0.820047 0.380553 ] [ 0.880553 0.320047 0.5 ] [ 0.119447 0.320047 0.5 ] [ 0.820047 0.5 0.380553 ] [ 0.179953 0.5 0.380553 ] [ 0 0.380553 0.679953 ] [ 0 0.619447 0.320047 ] [ 0.320047 0.619447 0.5 ] [ 0.119447 0.5 0.179953 ] [ 0.880553 0.5 0.179953 ] [ 0.679953 0.619447 0.5 ] [ 0.679953 0.380553 0.5 ] [ 0.119447 0.5 0.820047 ] [ 0.320047 0.380553 0.5 ] [ 0.880553 0.5 0.820047 ] [ 0.820047 0.5 0.619447 ] [ 0.119447 0.679953 0.5 ] [ 0 0.619447 0.679953 ] [ 0 0.380553 0.320047 ] [ 0.880553 0.679953 0.5 ] [ 0.179953 0.5 0.619447 ] [ 0 0.820047 0.619447 ] [ 0 0.179953 0.380553 ] [ 0 0.179953 0.619447 ] [ 0 0.5 0.5 ] [ 0 0 0.5 ] [ 0.5 0.320047 0.380553 ] [ 0.380553 0.820047 0.5 ] [ 0.619447 0.820047 0.5 ] [ 0.320047 0 0.380553 ] [ 0.679953 0 0.380553 ] [ 0.5 0.880553 0.679953 ] [ 0.5 0.119447 0.320047 ] [ 0.820047 0.119447 0.5 ] [ 0.619447 0 0.179953 ] [ 0.380553 0 0.179953 ] [ 0.179953 0.119447 0.5 ] [ 0.179953 0.880553 0.5 ] [ 0.619447 0 0.820047 ] [ 0.820047 0.880553 0.5 ] [ 0.380553 0 0.820047 ] [ 0.320047 0 0.619447 ] [ 0.619447 0.179953 0.5 ] [ 0.5 0.119447 0.679953 ] [ 0.5 0.880553 0.320047 ] [ 0.380553 0.179953 0.5 ] [ 0.679953 0 0.619447 ] [ 0.5 0.320047 0.619447 ] [ 0.5 0.679953 0.380553 ] [ 0.5 0.679953 0.619447 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0.5 ] [ 0.5 0.820047 0.880553 ] [ 0.380553 0.320047 0 ] [ 0.619447 0.320047 0 ] [ 0.320047 0.5 0.880553 ] [ 0.679953 0.5 0.880553 ] [ 0.5 0.380553 0.179953 ] [ 0.5 0.619447 0.820047 ] [ 0.820047 0.619447 0 ] [ 0.619447 0.5 0.679953 ] [ 0.380553 0.5 0.679953 ] [ 0.179953 0.619447 0 ] [ 0.179953 0.380553 0 ] [ 0.619447 0.5 0.320047 ] [ 0.820047 0.380553 0 ] [ 0.380553 0.5 0.320047 ] [ 0.320047 0.5 0.119447 ] [ 0.619447 0.679953 0 ] [ 0.5 0.619447 0.179953 ] [ 0.5 0.380553 0.820047 ] [ 0.380553 0.679953 0 ] [ 0.679953 0.5 0.119447 ] [ 0.5 0.820047 0.119447 ] [ 0.5 0.179953 0.880553 ] [ 0.5 0.179953 0.119447 ] [ 0.5 0.5 0 ] [ 0.5 0 0 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "K" "K" "K" "K" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" ] } "a" { "source-value" 12.3798428 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 1.3273925028571427 "source-unit" "eV" } }