{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-hexagonal-crystal" "instance-id" 1 "space-group" { "source-value" "P6_3mc" } "basis-atom-coordinates" { "source-value" [ [ 0.666667 0.333333 0.37259 ] [ 0.333333 0.666667 0.87259 ] [ 0 0 0.598979 ] [ 0 0 0.098979 ] [ 0.333333 0.666667 0.256516 ] [ 0.666667 0.333333 0.756516 ] [ 0.523971 0.476029 0.646939 ] [ 0.047943 0.523971 0.146939 ] [ 0.476029 0.952057 0.146939 ] [ 0.523971 0.047943 0.646939 ] [ 0.952057 0.476029 0.646939 ] [ 0.476029 0.523971 0.146939 ] [ 0.186664 0.813336 0.360365 ] [ 0.373327 0.186664 0.860365 ] [ 0.813336 0.626673 0.860365 ] [ 0.186664 0.373327 0.360365 ] [ 0.626673 0.813336 0.360365 ] [ 0.813336 0.186664 0.860365 ] ] } "species" { "source-value" [ "Rb" "Rb" "Rb" "Rb" "Mn" "Mn" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" ] } "a" { "source-value" 6.06928936557 "source-unit" "angstrom" } "c" { "source-value" 9.89217446 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 4.904149944444445 "source-unit" "eV" } }