{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-hexagonal-crystal" "instance-id" 1 "space-group" { "source-value" "P-3c1" } "basis-atom-coordinates" { "source-value" [ [ 0 0.331123 0.75 ] [ 0.331123 0.331123 0.25 ] [ 0.668877 0.668877 0.75 ] [ 0 0.668877 0.25 ] [ 0.331123 0 0.75 ] [ 0.668877 0 0.25 ] [ 0.333333 0.666667 0.526858 ] [ 0.666667 0.333333 0.473142 ] [ 0 0 0 ] [ 0 0 0.5 ] [ 0.666667 0.333333 0.973142 ] [ 0.333333 0.666667 0.026858 ] [ 0.826166 0.49171 0.723105 ] [ 0.334456 0.50829 0.776895 ] [ 0.173834 0.665544 0.776895 ] [ 0.826166 0.334456 0.223105 ] [ 0.173834 0.50829 0.276895 ] [ 0.158919 0 0.25 ] [ 0.334456 0.826166 0.276895 ] [ 0.49171 0.826166 0.776895 ] [ 0.665544 0.173834 0.723105 ] [ 0.665544 0.49171 0.223105 ] [ 0 0.158919 0.25 ] [ 0.158919 0.158919 0.75 ] [ 0.841081 0 0.75 ] [ 0 0.841081 0.75 ] [ 0.841081 0.841081 0.25 ] [ 0.50829 0.173834 0.223105 ] [ 0.49171 0.665544 0.276895 ] [ 0.50829 0.334456 0.723105 ] ] } "species" { "source-value" [ "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "V" "V" "V" "V" "V" "V" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" ] } "a" { "source-value" 13.0845934232 "source-unit" "angstrom" } "c" { "source-value" 6.55272758 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 4.218281337666666 "source-unit" "eV" } }