{ "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/mmc" } "basis-atom-coordinates" { "source-value" [ [ 0.666667 0.333333 0.929823 ] [ 0.333333 0.666667 0.429823 ] [ 0.666667 0.333333 0.570177 ] [ 0.333333 0.666667 0.070177 ] [ 0 0 0.75 ] [ 0 0 0.25 ] [ 0.333333 0.666667 0.663369 ] [ 0.666667 0.333333 0.163369 ] [ 0.666667 0.333333 0.336631 ] [ 0.333333 0.666667 0.836631 ] [ 0.820207 0.640413 0.405802 ] [ 0.179793 0.359587 0.905802 ] [ 0.179793 0.820207 0.905802 ] [ 0.179793 0.359587 0.594198 ] [ 0.640413 0.820207 0.905802 ] [ 0.359587 0.179793 0.405802 ] [ 0.038733 0.519366 0.75 ] [ 0.820207 0.179793 0.405802 ] [ 0.519366 0.038733 0.25 ] [ 0.480634 0.519366 0.75 ] [ 0.519366 0.480634 0.25 ] [ 0.961267 0.480634 0.25 ] [ 0.359587 0.179793 0.094198 ] [ 0.480634 0.961267 0.75 ] [ 0.820207 0.640413 0.094198 ] [ 0.179793 0.820207 0.594198 ] [ 0.640413 0.820207 0.594198 ] [ 0.820207 0.179793 0.094198 ] ] } "species" { "source-value" [ "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cr" "Cr" "Cr" "Cr" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" ] } "short-name" { "source-value" [ "hcp" ] } "a" { "source-value" 7.7895641993 "source-unit" "angstrom" } "c" { "source-value" 19.42099684 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 3.8971948892857142 "source-unit" "eV" } }