{ "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/mmc" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0.25 ] [ 0 0 0.75 ] [ 0.333333 0.666667 0.75 ] [ 0.666667 0.333333 0.25 ] [ 0.333333 0.666667 0.101095 ] [ 0.666667 0.333333 0.601095 ] [ 0.666667 0.333333 0.898905 ] [ 0.333333 0.666667 0.398905 ] [ 0.5 0 0 ] [ 0.5 0.5 0.5 ] [ 0 0.5 0.5 ] [ 0 0.5 0 ] [ 0.5 0.5 0 ] [ 0.5 0 0.5 ] [ 0.327499 0.958002 0.25 ] [ 0.369497 0.327499 0.75 ] [ 0.958002 0.630503 0.75 ] [ 0.041998 0.369497 0.25 ] [ 0.630503 0.672501 0.25 ] [ 0.369497 0.041998 0.75 ] [ 0.672501 0.630503 0.75 ] [ 0.672501 0.041998 0.75 ] [ 0.958002 0.327499 0.75 ] [ 0.041998 0.672501 0.25 ] [ 0.630503 0.958002 0.25 ] [ 0.327499 0.369497 0.25 ] [ 0.1653 0.330601 0.978055 ] [ 0.8347 0.1653 0.478055 ] [ 0.330601 0.1653 0.478055 ] [ 0.669399 0.8347 0.978055 ] [ 0.1653 0.8347 0.978055 ] [ 0.8347 0.669399 0.021945 ] [ 0.8347 0.1653 0.021945 ] [ 0.8347 0.669399 0.478055 ] [ 0.330601 0.1653 0.021945 ] [ 0.669399 0.8347 0.521945 ] [ 0.1653 0.330601 0.521945 ] [ 0.1653 0.8347 0.521945 ] ] } "species" { "source-value" [ "Tm" "Tm" "Tm" "Tm" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" ] } "short-name" { "source-value" [ "hcp" ] } "a" { "source-value" 8.23694560968 "source-unit" "angstrom" } "c" { "source-value" 7.98161087 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 5.85103554763158 "source-unit" "eV" } }