{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-hexagonal-crystal" "instance-id" 1 "space-group" { "source-value" "P-62c" } "basis-atom-coordinates" { "source-value" [ [ 0.400882 0.01498 0.25 ] [ 0.614098 0.599118 0.25 ] [ 0.98502 0.385902 0.25 ] [ 0.385902 0.98502 0.75 ] [ 0.599118 0.614098 0.75 ] [ 0.01498 0.400882 0.75 ] [ 0.725122 0 0 ] [ 0.274878 0.274878 0.5 ] [ 0 0.725122 0.5 ] [ 0 0.725122 0 ] [ 0.274878 0.274878 0 ] [ 0.725122 0 0.5 ] [ 0.333333 0.666667 0.032206 ] [ 0.333333 0.666667 0.467794 ] [ 0.666667 0.333333 0.967794 ] [ 0.666667 0.333333 0.532206 ] [ 0 0 0.25 ] [ 0 0 0.75 ] ] } "species" { "source-value" [ "Sc" "Sc" "Sc" "Sc" "Sc" "Sc" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" ] } "a" { "source-value" 7.54358955797 "source-unit" "angstrom" } "c" { "source-value" 7.24652904 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 6.023944678333333 "source-unit" "eV" } }