{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-cubic-crystal" "instance-id" 1 "space-group" { "source-value" "Im3" } "basis-atom-coordinates" { "source-value" [ [ 0.277307 0 0.5 ] [ 0.5 0 0.222693 ] [ 0 0.222693 0.5 ] [ 0 0.5 0.277307 ] [ 0.5 0.277307 0 ] [ 0.222693 0.5 0 ] [ 0.777307 0.5 0 ] [ 0 0.5 0.722693 ] [ 0.5 0.722693 0 ] [ 0.5 0 0.777307 ] [ 0 0.777307 0.5 ] [ 0.722693 0 0.5 ] [ 0 0.291339 0.05954 ] [ 0.708661 0.05954 0 ] [ 0.94046 0 0.291339 ] [ 0.708661 0.94046 0 ] [ 0.05954 0 0.708661 ] [ 0.291339 0.94046 0 ] [ 0.94046 0 0.708661 ] [ 0.05954 0 0.291339 ] [ 0.291339 0.05954 0 ] [ 0 0.708661 0.05954 ] [ 0 0.291339 0.94046 ] [ 0 0.708661 0.94046 ] [ 0.119701 0.097573 0.253821 ] [ 0.902427 0.253821 0.880299 ] [ 0.746179 0.880299 0.097573 ] [ 0.902427 0.746179 0.119701 ] [ 0.253821 0.880299 0.902427 ] [ 0.097573 0.746179 0.880299 ] [ 0.746179 0.119701 0.902427 ] [ 0.253821 0.119701 0.097573 ] [ 0.097573 0.253821 0.119701 ] [ 0.880299 0.902427 0.253821 ] [ 0.880299 0.097573 0.746179 ] [ 0.119701 0.902427 0.746179 ] [ 0.880299 0.902427 0.746179 ] [ 0.097573 0.746179 0.119701 ] [ 0.253821 0.119701 0.902427 ] [ 0.097573 0.253821 0.880299 ] [ 0.746179 0.119701 0.097573 ] [ 0.902427 0.253821 0.119701 ] [ 0.253821 0.880299 0.097573 ] [ 0.746179 0.880299 0.902427 ] [ 0.902427 0.746179 0.880299 ] [ 0.119701 0.097573 0.746179 ] [ 0.119701 0.902427 0.253821 ] [ 0.880299 0.097573 0.253821 ] [ 0.060212 0.193362 0.216753 ] [ 0.806638 0.216753 0.939788 ] [ 0.783247 0.939788 0.193362 ] [ 0.806638 0.783247 0.060212 ] [ 0.216753 0.939788 0.806638 ] [ 0.193362 0.783247 0.939788 ] [ 0.783247 0.060212 0.806638 ] [ 0.216753 0.060212 0.193362 ] [ 0.193362 0.216753 0.060212 ] [ 0.939788 0.806638 0.216753 ] [ 0.939788 0.193362 0.783247 ] [ 0.060212 0.806638 0.783247 ] [ 0.939788 0.806638 0.783247 ] [ 0.193362 0.783247 0.060212 ] [ 0.216753 0.060212 0.806638 ] [ 0.193362 0.216753 0.939788 ] [ 0.783247 0.060212 0.193362 ] [ 0.806638 0.216753 0.060212 ] [ 0.216753 0.939788 0.193362 ] [ 0.783247 0.939788 0.806638 ] [ 0.806638 0.783247 0.939788 ] [ 0.060212 0.193362 0.783247 ] [ 0.060212 0.806638 0.216753 ] [ 0.939788 0.193362 0.216753 ] [ 0.5 0.791339 0.55954 ] [ 0.208661 0.55954 0.5 ] [ 0.44046 0.5 0.791339 ] [ 0.208661 0.44046 0.5 ] [ 0.55954 0.5 0.208661 ] [ 0.791339 0.44046 0.5 ] [ 0.44046 0.5 0.208661 ] [ 0.55954 0.5 0.791339 ] [ 0.791339 0.55954 0.5 ] [ 0.5 0.208661 0.55954 ] [ 0.5 0.791339 0.44046 ] [ 0.5 0.208661 0.44046 ] [ 0.619701 0.597573 0.753821 ] [ 0.402427 0.753821 0.380299 ] [ 0.246179 0.380299 0.597573 ] [ 0.402427 0.246179 0.619701 ] [ 0.753821 0.380299 0.402427 ] [ 0.597573 0.246179 0.380299 ] [ 0.246179 0.619701 0.402427 ] [ 0.753821 0.619701 0.597573 ] [ 0.597573 0.753821 0.619701 ] [ 0.380299 0.402427 0.753821 ] [ 0.380299 0.597573 0.246179 ] [ 0.619701 0.402427 0.246179 ] [ 0.380299 0.402427 0.246179 ] [ 0.597573 0.246179 0.619701 ] [ 0.753821 0.619701 0.402427 ] [ 0.597573 0.753821 0.380299 ] [ 0.246179 0.619701 0.597573 ] [ 0.402427 0.753821 0.619701 ] [ 0.753821 0.380299 0.597573 ] [ 0.246179 0.380299 0.402427 ] [ 0.402427 0.246179 0.380299 ] [ 0.619701 0.597573 0.246179 ] [ 0.619701 0.402427 0.753821 ] [ 0.380299 0.597573 0.753821 ] [ 0.560212 0.693362 0.716753 ] [ 0.306638 0.716753 0.439788 ] [ 0.283247 0.439788 0.693362 ] [ 0.306638 0.283247 0.560212 ] [ 0.716753 0.439788 0.306638 ] [ 0.693362 0.283247 0.439788 ] [ 0.283247 0.560212 0.306638 ] [ 0.716753 0.560212 0.693362 ] [ 0.693362 0.716753 0.560212 ] [ 0.439788 0.306638 0.716753 ] [ 0.439788 0.693362 0.283247 ] [ 0.560212 0.306638 0.283247 ] [ 0.439788 0.306638 0.283247 ] [ 0.693362 0.283247 0.560212 ] [ 0.716753 0.560212 0.306638 ] [ 0.693362 0.716753 0.439788 ] [ 0.283247 0.560212 0.693362 ] [ 0.306638 0.716753 0.560212 ] [ 0.716753 0.439788 0.693362 ] [ 0.283247 0.439788 0.306638 ] [ 0.306638 0.283247 0.439788 ] [ 0.560212 0.693362 0.283247 ] [ 0.560212 0.306638 0.716753 ] [ 0.439788 0.693362 0.716753 ] ] } "species" { "source-value" [ "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" ] } "a" { "source-value" 12.0176288632 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 8.265765312575757 "source-unit" "eV" } }