{ "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" [ [ 0.670798 0.670798 0.75 ] [ 0 0.670798 0.25 ] [ 0.670798 0 0.25 ] [ 0.329202 0 0.75 ] [ 0 0.329202 0.75 ] [ 0.329202 0.329202 0.25 ] [ 0 0 0 ] [ 0 0 0.5 ] [ 0.333333 0.666667 0.75 ] [ 0.666667 0.333333 0.25 ] [ 0.666667 0.333333 0.75 ] [ 0.333333 0.666667 0.25 ] [ 0.34379 0 0.415791 ] [ 0.34379 0.34379 0.915791 ] [ 0 0.65621 0.915791 ] [ 0 0.34379 0.415791 ] [ 0.65621 0.65621 0.415791 ] [ 0.34379 0 0.084209 ] [ 0.65621 0.65621 0.084209 ] [ 0.65621 0 0.915791 ] [ 0 0.34379 0.084209 ] [ 0 0.65621 0.584209 ] [ 0.65621 0 0.584209 ] [ 0.34379 0.34379 0.584209 ] ] } "species" { "source-value" [ "Pr" "Pr" "Pr" "Pr" "Pr" "Pr" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" ] } "a" { "source-value" 7.155235508 "source-unit" "angstrom" } "c" { "source-value" 7.13476811 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 6.530255655 "source-unit" "eV" } }