{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-cubic-crystal" "instance-id" 1 "space-group" { "source-value" "P2_13" } "basis-atom-coordinates" { "source-value" [ [ 0.190077 0.309923 0.690077 ] [ 0.309923 0.690077 0.190077 ] [ 0.809923 0.809923 0.809923 ] [ 0.690077 0.190077 0.309923 ] [ 0.197892 0.697892 0.802108 ] [ 0.802108 0.197892 0.697892 ] [ 0.697892 0.802108 0.197892 ] [ 0.302108 0.302108 0.302108 ] [ 0.812751 0.384818 0.654204 ] [ 0.413146 0.413146 0.413146 ] [ 0.615182 0.154204 0.687249 ] [ 0.845796 0.187249 0.884818 ] [ 0.384818 0.654204 0.812751 ] [ 0.586854 0.913146 0.086854 ] [ 0.654204 0.812751 0.384818 ] [ 0.312751 0.115182 0.345796 ] [ 0.687249 0.615182 0.154204 ] [ 0.884818 0.845796 0.187249 ] [ 0.187249 0.884818 0.845796 ] [ 0.115182 0.345796 0.312751 ] [ 0.913146 0.086854 0.586854 ] [ 0.154204 0.687249 0.615182 ] [ 0.345796 0.312751 0.115182 ] [ 0.086854 0.586854 0.913146 ] [ 0.989049 0.368518 0.317858 ] [ 0.010951 0.868518 0.182142 ] [ 0.487456 0.487456 0.487456 ] [ 0.182142 0.010951 0.868518 ] [ 0.631482 0.817858 0.510951 ] [ 0.682142 0.489049 0.131482 ] [ 0.510951 0.631482 0.817858 ] [ 0.987456 0.012544 0.512544 ] [ 0.817858 0.510951 0.631482 ] [ 0.012544 0.512544 0.987456 ] [ 0.489049 0.131482 0.682142 ] [ 0.317858 0.989049 0.368518 ] [ 0.512544 0.987456 0.012544 ] [ 0.868518 0.182142 0.010951 ] [ 0.131482 0.682142 0.489049 ] [ 0.368518 0.317858 0.989049 ] ] } "species" { "source-value" [ "Tl" "Tl" "Tl" "Tl" "Co" "Co" "Co" "Co" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "a" { "source-value" 9.11919661 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 6.947420429999999 "source-unit" "eV" } }