{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-hexagonal-crystal" "instance-id" 1 "space-group" { "source-value" "P-62c" } "basis-atom-coordinates" { "source-value" [ [ 0.712409 0.120823 0.75 ] [ 0.408414 0.287591 0.75 ] [ 0 0 0 ] [ 0 0 0.5 ] [ 0.879177 0.591586 0.75 ] [ 0.120823 0.712409 0.25 ] [ 0.287591 0.408414 0.25 ] [ 0.591586 0.879177 0.25 ] [ 0.455517 0.167912 0.409366 ] [ 0.455517 0.167912 0.090634 ] [ 0.832088 0.287605 0.409366 ] [ 0.832088 0.287605 0.090634 ] [ 0.712395 0.544483 0.090634 ] [ 0.712395 0.544483 0.409366 ] [ 0.167912 0.455517 0.590634 ] [ 0.167912 0.455517 0.909366 ] [ 0.287605 0.832088 0.590634 ] [ 0.287605 0.832088 0.909366 ] [ 0.544483 0.712395 0.590634 ] [ 0.544483 0.712395 0.909366 ] [ 0.261565 0.051501 0.25 ] [ 0.666667 0.333333 0.945807 ] [ 0.666667 0.333333 0.554193 ] [ 0.948499 0.210064 0.25 ] [ 0.051501 0.261565 0.75 ] [ 0.789936 0.738435 0.25 ] [ 0.333333 0.666667 0.054193 ] [ 0.333333 0.666667 0.445807 ] [ 0.210064 0.948499 0.75 ] [ 0.738435 0.789936 0.75 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "a" { "source-value" 7.81020553 "source-unit" "angstrom" } "c" { "source-value" 8.05252347 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 4.477813992 "source-unit" "eV" } }