{ "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 0.077161 ] [ 0.333333 0.666667 0.577161 ] [ 0.333333 0.666667 0.922839 ] [ 0.666667 0.333333 0.422839 ] [ 0 0 0.25 ] [ 0 0 0.75 ] [ 0.666667 0.333333 0.84307 ] [ 0.666667 0.333333 0.65693 ] [ 0.333333 0.666667 0.15693 ] [ 0.333333 0.666667 0.34307 ] [ 0.167838 0.832162 0.083742 ] [ 0.832162 0.664325 0.916258 ] [ 0.832162 0.167838 0.916258 ] [ 0.832162 0.664325 0.583742 ] [ 0.335675 0.167838 0.916258 ] [ 0.664325 0.832162 0.416258 ] [ 0.167838 0.335675 0.416258 ] [ 0.167838 0.832162 0.416258 ] [ 0.501501 0.003002 0.25 ] [ 0.498499 0.501501 0.75 ] [ 0.003002 0.501501 0.75 ] [ 0.996998 0.498499 0.25 ] [ 0.501501 0.498499 0.25 ] [ 0.498499 0.996998 0.75 ] [ 0.335675 0.167838 0.583742 ] [ 0.832162 0.167838 0.583742 ] [ 0.167838 0.335675 0.083742 ] [ 0.664325 0.832162 0.083742 ] ] } "species" { "source-value" [ "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Sb" "Sb" "Sb" "Sb" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" ] } "short-name" { "source-value" [ "hcp" ] } "a" { "source-value" 8.57241174063 "source-unit" "angstrom" } "c" { "source-value" 21.73089254 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 2.6695871025 "source-unit" "eV" } }