{ "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" [ [ 0.333333 0.666667 0 ] [ 0.666667 0.333333 0.5 ] [ 0.666667 0.333333 0 ] [ 0.333333 0.666667 0.5 ] [ 0.235436 0 0.25 ] [ 0.235436 0.235436 0.75 ] [ 0 0.764564 0.75 ] [ 0 0.235436 0.25 ] [ 0.764564 0.764564 0.25 ] [ 0.764564 0 0.75 ] [ 0.606663 0 0.25 ] [ 0.606663 0.606663 0.75 ] [ 0 0.393337 0.75 ] [ 0 0.606663 0.25 ] [ 0.393337 0.393337 0.25 ] [ 0.393337 0 0.75 ] ] } "species" { "source-value" [ "Sc" "Sc" "Sc" "Sc" "Sc" "Sc" "Sc" "Sc" "Sc" "Sc" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" ] } "a" { "source-value" 8.56906497497 "source-unit" "angstrom" } "c" { "source-value" 6.19939418 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 5.818743778125 "source-unit" "eV" } }