{ "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" [ [ 0.666667 0.333333 0.908378 ] [ 0.333333 0.666667 0.091622 ] [ 0.666667 0.333333 0.591622 ] [ 0.333333 0.666667 0.408378 ] [ 0 0 0.75 ] [ 0 0 0.25 ] [ 0 0 0 ] [ 0 0 0.5 ] [ 0.666667 0.333333 0.368747 ] [ 0.666667 0.333333 0.131253 ] [ 0.333333 0.666667 0.868747 ] [ 0.333333 0.666667 0.631253 ] [ 0.177459 0.354919 0.594768 ] [ 0.822541 0.177459 0.094768 ] [ 0.645081 0.822541 0.905232 ] [ 0.822541 0.645081 0.094768 ] [ 0.177459 0.822541 0.905232 ] [ 0.822541 0.645081 0.405232 ] [ 0.822541 0.177459 0.405232 ] [ 0.177459 0.822541 0.594768 ] [ 0.645081 0.822541 0.594768 ] [ 0.354919 0.177459 0.094768 ] [ 0.666667 0.333333 0.25 ] [ 0.177459 0.354919 0.905232 ] [ 0.354919 0.177459 0.405232 ] [ 0.333333 0.666667 0.75 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "K" "K" "Lu" "Lu" "Si" "Si" "Si" "Si" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "short-name" { "source-value" [ "hcp" ] } "a" { "source-value" 5.76515531742 "source-unit" "angstrom" } "c" { "source-value" 14.06422984 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 6.830373703076924 "source-unit" "eV" } }