{ "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 0.569907 ] [ 0.333333 0.666667 0.069907 ] [ 0.333333 0.666667 0.430093 ] [ 0.666667 0.333333 0.930093 ] [ 0 0 0.25 ] [ 0 0 0.75 ] [ 0.333333 0.666667 0.663131 ] [ 0.666667 0.333333 0.336869 ] [ 0.333333 0.666667 0.836869 ] [ 0.666667 0.333333 0.163131 ] [ 0.82512 0.65024 0.409264 ] [ 0.17488 0.82512 0.590736 ] [ 0.65024 0.82512 0.590736 ] [ 0.82512 0.17488 0.409264 ] [ 0.34976 0.17488 0.409264 ] [ 0.17488 0.34976 0.909264 ] [ 0.022414 0.511207 0.75 ] [ 0.65024 0.82512 0.909264 ] [ 0.82512 0.65024 0.090736 ] [ 0.17488 0.34976 0.590736 ] [ 0.488793 0.977586 0.75 ] [ 0.511207 0.488793 0.25 ] [ 0.488793 0.511207 0.75 ] [ 0.17488 0.82512 0.909264 ] [ 0.34976 0.17488 0.090736 ] [ 0.977586 0.488793 0.25 ] [ 0.511207 0.022414 0.25 ] [ 0.82512 0.17488 0.090736 ] ] } "species" { "source-value" [ "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "V" "V" "V" "V" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" ] } "short-name" { "source-value" [ "hcp" ] } "a" { "source-value" 7.59025114072 "source-unit" "angstrom" } "c" { "source-value" 18.82381827 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 3.8572223432142856 "source-unit" "eV" } }