{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-hexagonal-crystal" "instance-id" 1 "space-group" { "source-value" "P6_3mc" } "basis-atom-coordinates" { "source-value" [ [ 0.666667 0.333333 0.504289 ] [ 0.333333 0.666667 0.004289 ] [ 0.335623 0.167812 0.787855 ] [ 0.832188 0.664377 0.787855 ] [ 0.832188 0.167812 0.787855 ] [ 0.167812 0.832188 0.287855 ] [ 0.167812 0.335623 0.287855 ] [ 0.664377 0.832188 0.287855 ] [ 0.320288 0.160144 0.394429 ] [ 0.519583 0.480417 0.670222 ] [ 0.666667 0.333333 0.899536 ] [ 0 0 0.680929 ] [ 0 0 0.180929 ] [ 0.839856 0.679712 0.394429 ] [ 0.519583 0.039166 0.670222 ] [ 0.960834 0.480417 0.670222 ] [ 0.160144 0.839856 0.894429 ] [ 0.839856 0.160144 0.394429 ] [ 0.039166 0.519583 0.170222 ] [ 0.480417 0.960834 0.170222 ] [ 0.333333 0.666667 0.399536 ] [ 0.160144 0.320288 0.894429 ] [ 0.480417 0.519583 0.170222 ] [ 0.679712 0.839856 0.894429 ] ] } "species" { "source-value" [ "Fe" "Fe" "Co" "Co" "Co" "Co" "Co" "Co" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "a" { "source-value" 5.61339167 "source-unit" "angstrom" } "c" { "source-value" 8.90631997 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 5.798018805833333 "source-unit" "eV" } }