{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-cubic-crystal" "instance-id" 1 "space-group" { "source-value" "Fm-3m" } "basis-atom-coordinates" { "source-value" [ [ 0.75 0.25 0.25 ] [ 0.25 0.75 0.75 ] [ 0.75 0.75 0.75 ] [ 0.25 0.25 0.25 ] [ 0.25 0.25 0.75 ] [ 0.75 0.75 0.25 ] [ 0.25 0.75 0.25 ] [ 0.75 0.25 0.75 ] [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0 ] [ 0 0.226559 0 ] [ 0 0 0.773441 ] [ 0.773441 0 0 ] [ 0 0.773441 0 ] [ 0 0 0.226559 ] [ 0.226559 0 0 ] [ 0 0.726559 0.5 ] [ 0 0.5 0.273441 ] [ 0.773441 0.5 0.5 ] [ 0 0.273441 0.5 ] [ 0 0.5 0.726559 ] [ 0.226559 0.5 0.5 ] [ 0.5 0.226559 0.5 ] [ 0.5 0 0.273441 ] [ 0.273441 0 0.5 ] [ 0.5 0.773441 0.5 ] [ 0.5 0 0.726559 ] [ 0.726559 0 0.5 ] [ 0.5 0.726559 0 ] [ 0.5 0.5 0.773441 ] [ 0.273441 0.5 0 ] [ 0.5 0.273441 0 ] [ 0.5 0.5 0.226559 ] [ 0.726559 0.5 0 ] ] } "species" { "source-value" [ "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Mo" "Mo" "Mo" "Mo" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" ] } "short-name" { "source-value" [ "fcc" ] } "a" { "source-value" 10.610446481 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 4.0790013911111105 "source-unit" "eV" } }