{ "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/mmc" } "basis-atom-coordinates" { "source-value" [ [ 0.333333 0.666667 0.429621 ] [ 0.666667 0.333333 0.929621 ] [ 0 0 0.25 ] [ 0.333333 0.666667 0.070379 ] [ 0 0 0.75 ] [ 0.666667 0.333333 0.570379 ] [ 0.666667 0.333333 0.162926 ] [ 0.333333 0.666667 0.837074 ] [ 0.333333 0.666667 0.662926 ] [ 0.666667 0.333333 0.337074 ] [ 0.824724 0.649447 0.092089 ] [ 0.516303 0.483697 0.25 ] [ 0.516303 0.032605 0.25 ] [ 0.032605 0.516303 0.75 ] [ 0.649447 0.824724 0.592089 ] [ 0.175276 0.824724 0.592089 ] [ 0.967395 0.483697 0.25 ] [ 0.350553 0.175276 0.092089 ] [ 0.824724 0.175276 0.407911 ] [ 0.175276 0.350553 0.907911 ] [ 0.483697 0.516303 0.75 ] [ 0.175276 0.350553 0.592089 ] [ 0.483697 0.967395 0.75 ] [ 0.350553 0.175276 0.407911 ] [ 0.824724 0.175276 0.092089 ] [ 0.824724 0.649447 0.407911 ] [ 0.175276 0.824724 0.907911 ] [ 0.649447 0.824724 0.907911 ] ] } "species" { "source-value" [ "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cr" "Cr" "Cr" "Cr" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" ] } "short-name" { "source-value" [ "hcp" ] } "a" { "source-value" 8.28119671815 "source-unit" "angstrom" } "c" { "source-value" 20.83161358 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 3.4705960728571426 "source-unit" "eV" } }