{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-hexagonal-crystal" "instance-id" 1 "space-group" { "source-value" "P6_3cm" } "basis-atom-coordinates" { "source-value" [ [ 0 0.615812 0.573218 ] [ 0.615812 0.615812 0.073218 ] [ 0.384188 0 0.073218 ] [ 0.615812 0 0.573218 ] [ 0.384188 0.384188 0.573218 ] [ 0 0.384188 0.073218 ] [ 0.333333 0.666667 0.81171 ] [ 0.666667 0.333333 0.31171 ] [ 0.333333 0.666667 0.31171 ] [ 0.666667 0.333333 0.81171 ] [ 0 0 0.671664 ] [ 0 0 0.171664 ] [ 0 0.271776 0.421782 ] [ 0.271776 0.271776 0.921782 ] [ 0.728224 0 0.921782 ] [ 0.271776 0 0.421782 ] [ 0.728224 0.728224 0.421782 ] [ 0 0.728224 0.921782 ] [ 0 0.330753 0.748572 ] [ 0.330753 0.330753 0.248572 ] [ 0.669247 0 0.248572 ] [ 0.330753 0 0.748572 ] [ 0.669247 0.669247 0.748572 ] [ 0 0.669247 0.248572 ] ] } "species" { "source-value" [ "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "P" "P" "P" "P" "P" "P" ] } "a" { "source-value" 6.95817129 "source-unit" "angstrom" } "c" { "source-value" 7.17811376 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 4.4475689237500005 "source-unit" "eV" } }