{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-hexagonal-crystal" "instance-id" 1 "space-group" { "source-value" "P3_112" } "basis-atom-coordinates" { "source-value" [ [ 0.555511 0.111022 0.166667 ] [ 0.888978 0.444489 0.5 ] [ 0.555511 0.444489 0.833333 ] [ 0.22208 0.44416 0.166667 ] [ 0.55584 0.77792 0.5 ] [ 0.22208 0.77792 0.833333 ] [ 0.535987 0.758429 0.766134 ] [ 0.888705 0.758239 0.900651 ] [ 0.535742 0.11116 0.900639 ] [ 0.869535 0.758239 0.432682 ] [ 0.222442 0.464013 0.4328 ] [ 0.888705 0.130465 0.099349 ] [ 0.535987 0.777558 0.233866 ] [ 0.88884 0.464258 0.766027 ] [ 0.241571 0.464013 0.900533 ] [ 0.575418 0.464258 0.567306 ] [ 0.869535 0.111295 0.567318 ] [ 0.222442 0.758429 0.5672 ] [ 0.241761 0.130465 0.233984 ] [ 0.575418 0.11116 0.432694 ] [ 0.88884 0.424582 0.233973 ] [ 0.535742 0.424582 0.099361 ] [ 0.241761 0.111295 0.766016 ] [ 0.241571 0.777558 0.099467 ] ] } "species" { "source-value" [ "Ru" "Ru" "Ru" "Ru" "Ru" "Ru" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" ] } "a" { "source-value" 6.05994138469 "source-unit" "angstrom" } "c" { "source-value" 19.91745744 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 4.211987149583334 "source-unit" "eV" } }