{ "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" [ [ 0.333333 0.666667 0.56328 ] [ 0.666667 0.333333 0.06328 ] [ 0.666667 0.333333 0.43672 ] [ 0.333333 0.666667 0.93672 ] [ 0 0 0.25 ] [ 0 0 0.75 ] [ 0.666667 0.333333 0.823527 ] [ 0.333333 0.666667 0.323527 ] [ 0.333333 0.666667 0.176473 ] [ 0.666667 0.333333 0.676473 ] [ 0.495745 0.991491 0.25 ] [ 0.504255 0.495745 0.75 ] [ 0.991491 0.495745 0.75 ] [ 0.008509 0.504255 0.25 ] [ 0.495745 0.504255 0.25 ] [ 0.504255 0.008509 0.75 ] [ 0.821376 0.178624 0.903196 ] [ 0.821376 0.642753 0.903196 ] [ 0.357247 0.178624 0.903196 ] [ 0.642753 0.821376 0.403196 ] [ 0.821376 0.642753 0.596804 ] [ 0.178624 0.821376 0.096804 ] [ 0.642753 0.821376 0.096804 ] [ 0.357247 0.178624 0.596804 ] [ 0.821376 0.178624 0.596804 ] [ 0.178624 0.357247 0.403196 ] [ 0.178624 0.821376 0.403196 ] [ 0.178624 0.357247 0.096804 ] ] } "species" { "source-value" [ "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Os" "Os" "Os" "Os" "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" 7.64117383993 "source-unit" "angstrom" } "c" { "source-value" 18.54922404 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 3.692151147857143 "source-unit" "eV" } }