{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-hexagonal-crystal" "instance-id" 1 "space-group" { "source-value" "P-3m1" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0.5 ] [ 0.666667 0.333333 0.167756 ] [ 0.333333 0.666667 0.832244 ] [ 0 0 0 ] [ 0.666667 0.333333 0.726463 ] [ 0.333333 0.666667 0.273537 ] [ 0.362556 0.181278 0.803118 ] [ 0.818722 0.181278 0.803118 ] [ 0.818722 0.637444 0.803118 ] [ 0.181278 0.818722 0.196882 ] [ 0.637444 0.818722 0.196882 ] [ 0.181278 0.362556 0.196882 ] [ 0.333333 0.666667 0.489102 ] [ 0.666667 0.333333 0.510898 ] ] } "species" { "source-value" [ "K" "K" "K" "Na" "Cr" "Cr" "O" "O" "O" "O" "O" "O" "O" "O" ] } "a" { "source-value" 5.95783679483 "source-unit" "angstrom" } "c" { "source-value" 7.63487771 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 5.911021597857143 "source-unit" "eV" } }