{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-hexagonal-crystal" "instance-id" 1 "space-group" { "source-value" "P-6m2" } "basis-atom-coordinates" { "source-value" [ [ 0.776346 0.888173 0.5 ] [ 0.812743 0.187257 0.78053 ] [ 0.111827 0.888173 0.5 ] [ 0.812743 0.187257 0.21947 ] [ 0.215995 0.431991 0 ] [ 0.449365 0.898731 0.5 ] [ 0.812743 0.625486 0.78053 ] [ 0.897644 0.448822 0 ] [ 0.812743 0.625486 0.21947 ] [ 0.551178 0.102356 0 ] [ 0.666667 0.333333 0.795583 ] [ 0.111827 0.223654 0.5 ] [ 0 0 0 ] [ 0.101269 0.550635 0.5 ] [ 0.215995 0.784005 0 ] [ 0.568009 0.784005 0 ] [ 0.666667 0.333333 0.204417 ] [ 0.374514 0.187257 0.78053 ] [ 0.449365 0.550635 0.5 ] [ 0.551178 0.448822 0 ] [ 0.374514 0.187257 0.21947 ] [ 0.747365 0.252635 0 ] [ 0.50527 0.252635 0 ] [ 0.747365 0.49473 0 ] ] } "species" { "source-value" [ "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "O" "O" "O" ] } "a" { "source-value" 16.5275363757 "source-unit" "angstrom" } "c" { "source-value" 9.31130644 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 1.7619557983333334 "source-unit" "eV" } }