{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-cubic-crystal" "instance-id" 1 "space-group" { "source-value" "Pa3" } "basis-atom-coordinates" { "source-value" [ [ 0.817801 0.433053 0.328856 ] [ 0.317801 0.066947 0.671144 ] [ 0.182199 0.933053 0.171144 ] [ 0.066947 0.671144 0.317801 ] [ 0.171144 0.182199 0.933053 ] [ 0.671144 0.317801 0.066947 ] [ 0.433053 0.328856 0.817801 ] [ 0.328856 0.817801 0.433053 ] [ 0.933053 0.171144 0.182199 ] [ 0.566947 0.828856 0.682199 ] [ 0.828856 0.682199 0.566947 ] [ 0.682199 0.566947 0.828856 ] [ 0.182199 0.566947 0.671144 ] [ 0.682199 0.933053 0.328856 ] [ 0.817801 0.066947 0.828856 ] [ 0.933053 0.328856 0.682199 ] [ 0.828856 0.817801 0.066947 ] [ 0.328856 0.682199 0.933053 ] [ 0.566947 0.671144 0.182199 ] [ 0.671144 0.182199 0.566947 ] [ 0.066947 0.828856 0.817801 ] [ 0.433053 0.171144 0.317801 ] [ 0.171144 0.317801 0.433053 ] [ 0.317801 0.433053 0.171144 ] [ 0.5 0.5 0.5 ] [ 0.5 0 0 ] [ 0 0 0.5 ] [ 0 0.5 0 ] [ 0.950096 0.195577 0.45687 ] [ 0.450096 0.304423 0.54313 ] [ 0.049904 0.695577 0.04313 ] [ 0.304423 0.54313 0.450096 ] [ 0.04313 0.049904 0.695577 ] [ 0.54313 0.450096 0.304423 ] [ 0.195577 0.45687 0.950096 ] [ 0.45687 0.950096 0.195577 ] [ 0.695577 0.04313 0.049904 ] [ 0.804423 0.95687 0.549904 ] [ 0.95687 0.549904 0.804423 ] [ 0.549904 0.804423 0.95687 ] [ 0.049904 0.804423 0.54313 ] [ 0.549904 0.695577 0.45687 ] [ 0.950096 0.304423 0.95687 ] [ 0.832962 0.667038 0.332962 ] [ 0.695577 0.45687 0.549904 ] [ 0.45687 0.549904 0.695577 ] [ 0.804423 0.54313 0.049904 ] [ 0.54313 0.049904 0.804423 ] [ 0.304423 0.95687 0.950096 ] [ 0.195577 0.04313 0.450096 ] [ 0.04313 0.450096 0.195577 ] [ 0.450096 0.195577 0.04313 ] [ 0.167038 0.332962 0.667038 ] [ 0.332962 0.667038 0.167038 ] [ 0.667038 0.167038 0.332962 ] [ 0.832962 0.832962 0.832962 ] [ 0 0 0 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0 ] [ 0 0.5 0.5 ] [ 0.167038 0.167038 0.167038 ] [ 0.332962 0.832962 0.667038 ] [ 0.667038 0.332962 0.832962 ] [ 0.95687 0.950096 0.304423 ] ] } "species" { "source-value" [ "In" "In" "In" "In" "In" "In" "In" "In" "In" "In" "In" "In" "In" "In" "In" "In" "In" "In" "In" "In" "In" "In" "In" "In" "In" "In" "In" "In" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" ] } "a" { "source-value" 12.42853489 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 3.13850938484375 "source-unit" "eV" } }