{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-hexagonal-crystal" "instance-id" 1 "space-group" { "source-value" "P6_3/mcm" } "basis-atom-coordinates" { "source-value" [ [ 0.722804 0.722804 0.25 ] [ 0.333333 0.666667 0.5 ] [ 0.277196 0.277196 0.75 ] [ 0 0.277196 0.25 ] [ 0.666667 0.333333 0.5 ] [ 0.277196 0 0.25 ] [ 0.722804 0 0.75 ] [ 0.333333 0.666667 0 ] [ 0.666667 0.333333 0 ] [ 0 0.722804 0.75 ] [ 0.386045 0.386045 0.25 ] [ 0.613955 0.613955 0.75 ] [ 0.386045 0 0.75 ] [ 0 0.613955 0.25 ] [ 0.613955 0 0.25 ] [ 0 0.386045 0.75 ] [ 0 0 0 ] [ 0 0 0.5 ] ] } "species" { "source-value" [ "La" "La" "La" "La" "La" "La" "La" "La" "La" "La" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "I" "I" ] } "a" { "source-value" 9.78751968168 "source-unit" "angstrom" } "c" { "source-value" 7.14127498 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 5.116761376111111 "source-unit" "eV" } }