{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-cubic-crystal" "instance-id" 1 "space-group" { "source-value" "I2_13" } "basis-atom-coordinates" { "source-value" [ [ 0.197326 0 0.75 ] [ 0.75 0.802674 0.5 ] [ 0.5 0.75 0.802674 ] [ 0.75 0.197326 0 ] [ 0 0.75 0.197326 ] [ 0.802674 0.5 0.75 ] [ 0.697326 0.5 0.25 ] [ 0.25 0.302674 0 ] [ 0 0.25 0.302674 ] [ 0.25 0.697326 0.5 ] [ 0.5 0.25 0.697326 ] [ 0.302674 0 0.25 ] [ 0.237926 0.262074 0.737926 ] [ 0.237926 0.737926 0.762074 ] [ 0.762074 0.237926 0.737926 ] [ 0.762074 0.762074 0.762074 ] [ 0.737926 0.762074 0.237926 ] [ 0.737926 0.237926 0.262074 ] [ 0.262074 0.737926 0.237926 ] [ 0.262074 0.262074 0.262074 ] [ 0.994526 0.505474 0.494526 ] [ 0.494526 0.994526 0.505474 ] [ 0.005474 0.005474 0.005474 ] [ 0.505474 0.494526 0.994526 ] [ 0.494526 0.005474 0.994526 ] [ 0.994526 0.494526 0.005474 ] [ 0.505474 0.505474 0.505474 ] [ 0.005474 0.994526 0.494526 ] ] } "species" { "source-value" [ "Hg" "Hg" "Hg" "Hg" "Hg" "Hg" "Hg" "Hg" "Hg" "Hg" "Hg" "Hg" "S" "S" "S" "S" "S" "S" "S" "S" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" ] } "a" { "source-value" 9.22135054372 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 2.225511119285714 "source-unit" "eV" } }