{ "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" [ [ 0.333333 0.666667 0.75 ] [ 0.666667 0.333333 0.25 ] [ 0.115935 0.166712 0.25 ] [ 0.833288 0.949223 0.25 ] [ 0.050777 0.884065 0.25 ] [ 0.884065 0.833288 0.75 ] [ 0.166712 0.050777 0.75 ] [ 0.949223 0.115935 0.75 ] [ 0.441141 0.417609 0.25 ] [ 0.582391 0.023532 0.25 ] [ 0.976468 0.558859 0.25 ] [ 0.558859 0.582391 0.75 ] [ 0.417609 0.976468 0.75 ] [ 0.023532 0.441141 0.75 ] [ 0.208694 0.503792 0.25 ] [ 0.496208 0.704902 0.25 ] [ 0.295098 0.791306 0.25 ] [ 0.791306 0.496208 0.75 ] [ 0.503792 0.295098 0.75 ] [ 0.704902 0.208694 0.75 ] [ 0.362463 0.10685 0.25 ] [ 0.89315 0.255612 0.25 ] [ 0.744388 0.637537 0.25 ] [ 0.637537 0.89315 0.75 ] [ 0.10685 0.744388 0.75 ] [ 0.255612 0.362463 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" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" ] } "a" { "source-value" 10.0765320397 "source-unit" "angstrom" } "c" { "source-value" 4.30219628 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 4.038149990769231 "source-unit" "eV" } }