{ "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 0 0.993366 ] [ 0 0 0.493366 ] [ 0.666667 0.333333 0.261501 ] [ 0.333333 0.666667 0.761501 ] [ 0 0 0.703043 ] [ 0 0 0.203043 ] [ 0.666667 0.333333 0.871703 ] [ 0.333333 0.666667 0.371703 ] [ 0.333333 0.666667 0.045387 ] [ 0.666667 0.333333 0.545387 ] ] } "species" { "source-value" [ "La" "La" "Tl" "Tl" "O" "O" "O" "O" "O" "O" ] } "a" { "source-value" 3.7519119008 "source-unit" "angstrom" } "c" { "source-value" 13.02791206 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 6.348991858 "source-unit" "eV" } }