{ "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 0 0 ] [ 0.5 0.5 0.5 ] [ 0.25 0.25 0.75 ] [ 0.25 0.75 0.75 ] [ 0.25 0.25 0.25 ] [ 0.25 0.75 0.25 ] [ 0.75 0.75 0.25 ] [ 0.75 0.25 0.25 ] [ 0.75 0.75 0.75 ] [ 0.75 0.25 0.75 ] [ 0 0.5 0 ] [ 0.5 0.5 0 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0 0 0.5 ] [ 0.5 0 0 ] [ 0.829172 0 0.300223 ] [ 0.829172 0 0.699777 ] [ 0.699777 0.829172 0 ] [ 0.300223 0.170828 0 ] [ 0.170828 0 0.300223 ] [ 0.170828 0 0.699777 ] [ 0.699777 0.170828 0 ] [ 0 0.300223 0.170828 ] [ 0 0.699777 0.170828 ] [ 0 0.699777 0.829172 ] [ 0 0.300223 0.829172 ] [ 0.300223 0.829172 0 ] [ 0.329172 0.5 0.800223 ] [ 0.329172 0.5 0.199777 ] [ 0.199777 0.329172 0.5 ] [ 0.800223 0.670828 0.5 ] [ 0.670828 0.5 0.800223 ] [ 0.670828 0.5 0.199777 ] [ 0.199777 0.670828 0.5 ] [ 0.5 0.800223 0.670828 ] [ 0.5 0.199777 0.670828 ] [ 0.5 0.199777 0.329172 ] [ 0.5 0.800223 0.329172 ] [ 0.800223 0.329172 0.5 ] ] } "species" { "source-value" [ "Th" "Th" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "a" { "source-value" 7.49841337112 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 6.977625206499999 "source-unit" "eV" } }