{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-hexagonal-crystal" "instance-id" 1 "space-group" { "source-value" "P-6" } "basis-atom-coordinates" { "source-value" [ [ 0.271181 0.981828 0.5 ] [ 0.710647 0.728819 0.5 ] [ 0.018172 0.289353 0.5 ] [ 0.394048 0.376624 0 ] [ 0.623376 0.017424 0 ] [ 0.982576 0.605952 0 ] [ 0.666667 0.333333 0.5 ] [ 0 0 0 ] [ 0.333333 0.666667 0.5 ] [ 0.472306 0.256455 0.5 ] [ 0.784149 0.527694 0.5 ] [ 0.743545 0.215851 0.5 ] [ 0.11316 0.917806 0 ] [ 0.139429 0.582903 0.5 ] [ 0.082194 0.195354 0 ] [ 0.443474 0.860571 0.5 ] [ 0.417097 0.556526 0.5 ] [ 0.804646 0.88684 0 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Cr" "Cr" "Cr" "B" "B" "B" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "a" { "source-value" 8.21782858 "source-unit" "angstrom" } "c" { "source-value" 3.17296029 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 7.270319968888889 "source-unit" "eV" } }