{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-hexagonal-crystal" "instance-id" 1 "space-group" { "source-value" "P-3c1" } "basis-atom-coordinates" { "source-value" [ [ 0.333333 0.666667 0.417949 ] [ 0.666667 0.333333 0.082051 ] [ 0.666667 0.333333 0.582051 ] [ 0.333333 0.666667 0.917949 ] [ 0.333333 0.666667 0.665446 ] [ 0.666667 0.333333 0.834554 ] [ 0.666667 0.333333 0.334554 ] [ 0.333333 0.666667 0.165446 ] [ 0 0 0.75 ] [ 0 0 0.25 ] [ 0 0 0.5 ] [ 0 0 0 ] [ 0.177301 0.336757 0.08268 ] [ 0.663243 0.840544 0.08268 ] [ 0.159456 0.822699 0.08268 ] [ 0.840544 0.663243 0.41732 ] [ 0.822699 0.159456 0.41732 ] [ 0.336757 0.177301 0.41732 ] [ 0.822699 0.663243 0.91732 ] [ 0.336757 0.159456 0.91732 ] [ 0.840544 0.177301 0.91732 ] [ 0.159456 0.336757 0.58268 ] [ 0.177301 0.840544 0.58268 ] [ 0.663243 0.822699 0.58268 ] [ 0.852723 0.66967 0.165775 ] [ 0.33033 0.183053 0.165775 ] [ 0.816947 0.147277 0.165775 ] [ 0.183053 0.33033 0.334225 ] [ 0.147277 0.816947 0.334225 ] [ 0.66967 0.852723 0.334225 ] [ 0.147277 0.33033 0.834225 ] [ 0.66967 0.816947 0.834225 ] [ 0.183053 0.852723 0.834225 ] [ 0.816947 0.66967 0.665775 ] [ 0.852723 0.183053 0.665775 ] [ 0.33033 0.147277 0.665775 ] [ 0.521822 0.521822 0.75 ] [ 0 0.478178 0.75 ] [ 0.478178 0 0.75 ] [ 0.478178 0.478178 0.25 ] [ 0 0.521822 0.25 ] [ 0.521822 0 0.25 ] [ 0 0.5 0.5 ] [ 0.5 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0 ] [ 0 0.5 0 ] [ 0.5 0 0 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" ] } "a" { "source-value" 8.77807482914 "source-unit" "angstrom" } "c" { "source-value" 21.51237657 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 3.2155854254166667 "source-unit" "eV" } }