{ "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 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0 ] [ 0 0.5 0 ] [ 0 0.5 0.5 ] [ 0.5 0.5 0.5 ] [ 0.5 0 0 ] [ 0 0 0.5 ] [ 0 0 0.25 ] [ 0 0 0.75 ] [ 0.832608 0.167392 0.876809 ] [ 0.167392 0.832608 0.376809 ] [ 0.167392 0.334784 0.376809 ] [ 0.665216 0.832608 0.376809 ] [ 0.334784 0.167392 0.876809 ] [ 0.832608 0.665216 0.623191 ] [ 0.333333 0.666667 0.879052 ] [ 0.832608 0.665216 0.876809 ] [ 0.333333 0.666667 0.620948 ] [ 0.666667 0.333333 0.120948 ] [ 0.666667 0.333333 0.379052 ] [ 0.167392 0.334784 0.123191 ] [ 0.665216 0.832608 0.123191 ] [ 0.832608 0.167392 0.623191 ] [ 0.334784 0.167392 0.623191 ] [ 0.167392 0.832608 0.123191 ] ] } "species" { "source-value" [ "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Cr" "Cr" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" ] } "short-name" { "source-value" [ "hcp" ] } "a" { "source-value" 6.9790981921 "source-unit" "angstrom" } "c" { "source-value" 13.83574717 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 6.686085193076924 "source-unit" "eV" } }