{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-hexagonal-crystal" "instance-id" 1 "space-group" { "source-value" "P6_3mc" } "basis-atom-coordinates" { "source-value" [ [ 0.148234 0.851766 0.541557 ] [ 0.296468 0.148234 0.041557 ] [ 0.851766 0.703532 0.041557 ] [ 0.148234 0.296468 0.541557 ] [ 0.703532 0.851766 0.541557 ] [ 0.851766 0.148234 0.041557 ] [ 0.530022 0.469978 0.369938 ] [ 0.060043 0.530022 0.869938 ] [ 0.469978 0.939957 0.869938 ] [ 0.530022 0.060043 0.369938 ] [ 0.939957 0.469978 0.369938 ] [ 0.469978 0.530022 0.869938 ] [ 0.333333 0.666667 0.252791 ] [ 0.666667 0.333333 0.752791 ] [ 0.333333 0.666667 0.595858 ] [ 0.666667 0.333333 0.095858 ] [ 0.187979 0.812021 0.145022 ] [ 0.375957 0.187979 0.645022 ] [ 0.812021 0.624043 0.645022 ] [ 0.187979 0.375957 0.145022 ] [ 0.624043 0.812021 0.145022 ] [ 0.812021 0.187979 0.645022 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Fe" "Fe" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" ] } "a" { "source-value" 9.35791004891 "source-unit" "angstrom" } "c" { "source-value" 7.2387816 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 3.6428133681818182 "source-unit" "eV" } }