{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-hexagonal-crystal" "instance-id" 1 "space-group" { "source-value" "P6_3/m" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0 0.5 ] [ 0.333333 0.666667 0.75 ] [ 0.666667 0.333333 0.25 ] [ 0.333333 0.666667 0.078271 ] [ 0.666667 0.333333 0.578271 ] [ 0.666667 0.333333 0.921729 ] [ 0.333333 0.666667 0.421729 ] [ 0.669381 0.028067 0.083444 ] [ 0.641314 0.669381 0.583444 ] [ 0.028067 0.358686 0.583444 ] [ 0.971933 0.641314 0.083444 ] [ 0.358686 0.330619 0.083444 ] [ 0.330619 0.971933 0.583444 ] [ 0.330619 0.971933 0.916556 ] [ 0.358686 0.330619 0.416556 ] [ 0.971933 0.641314 0.416556 ] [ 0.028067 0.358686 0.916556 ] [ 0.641314 0.669381 0.916556 ] [ 0.669381 0.028067 0.416556 ] [ 0.291992 0.977353 0.25 ] [ 0.314639 0.291992 0.75 ] [ 0.977353 0.685361 0.75 ] [ 0.022647 0.314639 0.25 ] [ 0.685361 0.708008 0.25 ] [ 0.708008 0.022647 0.75 ] ] } "species" { "source-value" [ "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" ] } "a" { "source-value" 7.35739878169 "source-unit" "angstrom" } "c" { "source-value" 7.92923072 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 4.065223803461539 "source-unit" "eV" } }