{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-hexagonal-crystal" "instance-id" 1 "space-group" { "source-value" "P-31c" } "basis-atom-coordinates" { "source-value" [ [ 0.666667 0.333333 0.461583 ] [ 0.666667 0.333333 0.038417 ] [ 0.333333 0.666667 0.538417 ] [ 0.333333 0.666667 0.961583 ] [ 0 0 0.75 ] [ 0 0 0.25 ] [ 0.666667 0.333333 0.75 ] [ 0.333333 0.666667 0.25 ] [ 0.368077 0.31939 0.869461 ] [ 0.951313 0.31939 0.630539 ] [ 0.368077 0.048687 0.630539 ] [ 0.68061 0.631923 0.630539 ] [ 0.951313 0.631923 0.869461 ] [ 0.68061 0.048687 0.869461 ] [ 0.31939 0.368077 0.369461 ] [ 0.631923 0.951313 0.369461 ] [ 0.048687 0.68061 0.369461 ] [ 0.631923 0.68061 0.130539 ] [ 0.048687 0.368077 0.130539 ] [ 0.31939 0.951313 0.130539 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Na" "Na" "Sc" "Sc" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" ] } "a" { "source-value" 7.40389382715 "source-unit" "angstrom" } "c" { "source-value" 13.24503399 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 3.6553728635 "source-unit" "eV" } }