{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-hexagonal-crystal" "instance-id" 1 "space-group" { "source-value" "P3_221" } "basis-atom-coordinates" { "source-value" [ [ 0.445806 0.445806 0 ] [ 0 0.554194 0.333333 ] [ 0.554194 0 0.666667 ] [ 0.347753 0.42501 0.75535 ] [ 0.922743 0.57499 0.577983 ] [ 0.42501 0.347753 0.24465 ] [ 0.077257 0.652247 0.088683 ] [ 0.57499 0.922743 0.422017 ] [ 0.652247 0.077257 0.911317 ] [ 0.71286 0 0.166667 ] [ 0 0.71286 0.833333 ] [ 0.28714 0.28714 0.5 ] [ 0.765357 0.662919 0.168342 ] [ 0.897563 0.234643 0.501675 ] [ 0.337081 0.102437 0.835009 ] [ 0.102437 0.337081 0.164991 ] [ 0.234643 0.897563 0.498325 ] [ 0.662919 0.765357 0.831658 ] [ 0.961929 0.470221 0.948438 ] [ 0.508292 0.038071 0.281771 ] [ 0.038071 0.508292 0.718229 ] [ 0.470221 0.961929 0.051562 ] [ 0.491708 0.529779 0.384895 ] [ 0.529779 0.491708 0.615105 ] ] } "species" { "source-value" [ "Sr" "Sr" "Sr" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Ge" "Ge" "Ge" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" ] } "a" { "source-value" 6.1822775871 "source-unit" "angstrom" } "c" { "source-value" 15.30418061 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 4.674717050833333 "source-unit" "eV" } }