{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-hexagonal-crystal" "instance-id" 1 "space-group" { "source-value" "P-62m" } "basis-atom-coordinates" { "source-value" [ [ 0.595843 0 0.5 ] [ 0.404157 0.404157 0.5 ] [ 0 0.595843 0.5 ] [ 0.333333 0.666667 0 ] [ 0.666667 0.333333 0 ] [ 0 0 0.5 ] [ 0 0.257659 0 ] [ 0.257659 0 0 ] [ 0.742341 0.742341 0 ] ] } "species" { "source-value" [ "Mn" "Mn" "Mn" "As" "As" "As" "Ru" "Ru" "Ru" ] } "a" { "source-value" 6.54934941241 "source-unit" "angstrom" } "c" { "source-value" 3.61019579 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 7.907048723333334 "source-unit" "eV" } }