{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-hexagonal-crystal" "instance-id" 1 "space-group" { "source-value" "P3_121" } "basis-atom-coordinates" { "source-value" [ [ 0 0.701368 0.666667 ] [ 0.298632 0.298632 0 ] [ 0.701368 0 0.333333 ] [ 0 0.6851 0.166667 ] [ 0.3149 0.3149 0.5 ] [ 0.6851 0 0.833333 ] [ 0.119487 0.626495 0.283002 ] [ 0.507008 0.880513 0.949668 ] [ 0.373505 0.492992 0.616335 ] [ 0.492992 0.373505 0.383665 ] [ 0.626495 0.119487 0.716998 ] [ 0.880513 0.507008 0.050332 ] ] } "species" { "source-value" [ "Rb" "Rb" "Rb" "N" "N" "N" "O" "O" "O" "O" "O" "O" ] } "a" { "source-value" 5.78213914 "source-unit" "angstrom" } "c" { "source-value" 7.65195401 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 5.7100106475 "source-unit" "eV" } }