{ "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/m" } "basis-atom-coordinates" { "source-value" [ [ 0.634114 0.952708 0.25 ] [ 0.318594 0.365886 0.25 ] [ 0.952708 0.318594 0.75 ] [ 0.047292 0.681406 0.25 ] [ 0.681406 0.634114 0.75 ] [ 0.365886 0.047292 0.75 ] [ 0.296721 0.755917 0.25 ] [ 0.755917 0.459196 0.75 ] [ 0.703279 0.244083 0.75 ] [ 0.459196 0.703279 0.25 ] [ 0.244083 0.540804 0.25 ] [ 0.540804 0.296721 0.75 ] [ 0.371677 0.577785 0.25 ] [ 0.793892 0.371677 0.75 ] [ 0.577785 0.206108 0.75 ] [ 0.206108 0.628323 0.25 ] [ 0.422215 0.793892 0.25 ] [ 0.628323 0.422215 0.75 ] [ 0.814886 0.855912 0.75 ] [ 0.958974 0.814886 0.25 ] [ 0.68724 0.620017 0.527065 ] [ 0.855912 0.041026 0.25 ] [ 0.620017 0.932778 0.472935 ] [ 0.379983 0.067222 0.972935 ] [ 0.395159 0.869392 0.75 ] [ 0.31276 0.379983 0.472935 ] [ 0.067222 0.68724 0.027065 ] [ 0.932778 0.31276 0.527065 ] [ 0.130608 0.525767 0.75 ] [ 0.604841 0.130608 0.25 ] [ 0.620017 0.932778 0.027065 ] [ 0.932778 0.31276 0.972935 ] [ 0.067222 0.68724 0.472935 ] [ 0.379983 0.067222 0.527065 ] [ 0.869392 0.474233 0.25 ] [ 0.185114 0.144088 0.25 ] [ 0.144088 0.958974 0.75 ] [ 0.68724 0.620017 0.972935 ] [ 0.31276 0.379983 0.027065 ] [ 0.474233 0.604841 0.75 ] [ 0.041026 0.185114 0.75 ] [ 0.525767 0.395159 0.25 ] [ 0.250965 0.831605 0.25 ] [ 0.168395 0.419359 0.25 ] [ 0.419359 0.250965 0.75 ] [ 0.580641 0.749035 0.25 ] [ 0.749035 0.168395 0.75 ] [ 0.831605 0.580641 0.75 ] ] } "species" { "source-value" [ "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "C" "C" "C" "C" "C" "C" "N" "N" "N" "N" "N" "N" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "O" "O" "O" "O" "O" "O" ] } "a" { "source-value" 12.0573390282 "source-unit" "angstrom" } "c" { "source-value" 10.53633922 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 4.871173088125 "source-unit" "eV" } }