{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-cubic-crystal" "instance-id" 1 "space-group" { "source-value" "Fd-3m" } "basis-atom-coordinates" { "source-value" [ [ 0.125 0.625 0.625 ] [ 0.875 0.875 0.875 ] [ 0.125 0.125 0.125 ] [ 0.875 0.375 0.375 ] [ 0.625 0.625 0.125 ] [ 0.375 0.875 0.375 ] [ 0.625 0.125 0.625 ] [ 0.375 0.375 0.875 ] [ 0.75 0.25 0 ] [ 0.25 0 0.75 ] [ 0 0 0.5 ] [ 0 0.75 0.25 ] [ 0.75 0.75 0.5 ] [ 0.25 0.5 0.25 ] [ 0 0.5 0 ] [ 0 0.25 0.75 ] [ 0.25 0.25 0.5 ] [ 0.75 0 0.25 ] [ 0.5 0 0 ] [ 0.5 0.75 0.75 ] [ 0.25 0.75 0 ] [ 0.75 0.5 0.75 ] [ 0.5 0.5 0.5 ] [ 0.5 0.25 0.25 ] [ 0.739023 0.010977 0.010977 ] [ 0.739023 0.739023 0.739023 ] [ 0.260977 0.489023 0.489023 ] [ 0.260977 0.760977 0.760977 ] [ 0.989023 0.760977 0.489023 ] [ 0.010977 0.010977 0.739023 ] [ 0.010977 0.739023 0.010977 ] [ 0.989023 0.489023 0.760977 ] [ 0.739023 0.510977 0.510977 ] [ 0.739023 0.239023 0.239023 ] [ 0.260977 0.989023 0.989023 ] [ 0.260977 0.260977 0.260977 ] [ 0.989023 0.260977 0.989023 ] [ 0.010977 0.510977 0.239023 ] [ 0.010977 0.239023 0.510977 ] [ 0.989023 0.989023 0.260977 ] [ 0.239023 0.010977 0.510977 ] [ 0.239023 0.739023 0.239023 ] [ 0.760977 0.489023 0.989023 ] [ 0.760977 0.760977 0.260977 ] [ 0.489023 0.760977 0.989023 ] [ 0.510977 0.010977 0.239023 ] [ 0.510977 0.739023 0.510977 ] [ 0.489023 0.489023 0.260977 ] [ 0.239023 0.510977 0.010977 ] [ 0.239023 0.239023 0.739023 ] [ 0.760977 0.989023 0.489023 ] [ 0.760977 0.260977 0.760977 ] [ 0.489023 0.260977 0.489023 ] [ 0.510977 0.510977 0.739023 ] [ 0.510977 0.239023 0.010977 ] [ 0.489023 0.989023 0.760977 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "V" "V" "V" "V" "V" "V" "V" "V" "V" "V" "V" "V" "V" "V" "V" "V" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "short-name" { "source-value" [ "diamond" ] } "a" { "source-value" 8.37959110028 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 7.292188563571429 "source-unit" "eV" } }