{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-cubic-crystal" "instance-id" 1 "space-group" { "source-value" "Pm3" } "basis-atom-coordinates" { "source-value" [ [ 0 0.186276 0.5 ] [ 0 0.813724 0.5 ] [ 0.5 0 0.186276 ] [ 0.5 0 0.813724 ] [ 0.186276 0.5 0 ] [ 0.813724 0.5 0 ] [ 0 0 0 ] [ 0.719773 0.280227 0.280227 ] [ 0.280227 0.280227 0.719773 ] [ 0.280227 0.719773 0.280227 ] [ 0.719773 0.719773 0.719773 ] [ 0.280227 0.719773 0.719773 ] [ 0.719773 0.719773 0.280227 ] [ 0.719773 0.280227 0.719773 ] [ 0.280227 0.280227 0.280227 ] [ 0.5 0.328995 0 ] [ 0.5 0.671005 0 ] [ 0 0.5 0.328995 ] [ 0 0.5 0.671005 ] [ 0.328995 0 0.5 ] [ 0.671005 0 0.5 ] [ 0.5 0.275304 0.5 ] [ 0.5 0.724696 0.5 ] [ 0.5 0.5 0.275304 ] [ 0.5 0.5 0.724696 ] [ 0.275304 0.5 0.5 ] [ 0.724696 0.5 0.5 ] [ 0.844167 0 0.254283 ] [ 0.155833 0 0.745717 ] [ 0.155833 0 0.254283 ] [ 0.844167 0 0.745717 ] [ 0.254283 0.844167 0 ] [ 0.745717 0.155833 0 ] [ 0.254283 0.155833 0 ] [ 0.745717 0.844167 0 ] [ 0 0.254283 0.844167 ] [ 0 0.745717 0.155833 ] [ 0 0.254283 0.155833 ] [ 0 0.745717 0.844167 ] [ 0.5 0.5 0.5 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "K" "K" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Tl" "Tl" "Tl" "Tl" "Tl" "Tl" "Tl" "Tl" "Tl" "Tl" "Tl" "Tl" "Tl" "Tl" "Tl" "Tl" "Tl" "Tl" "H" ] } "a" { "source-value" 10.88480133 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 1.9144070415 "source-unit" "eV" } }