{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-cubic-crystal" "instance-id" 1 "space-group" { "source-value" "Pm-3n" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0 0.75 ] [ 0.5 0 0.25 ] [ 0.25 0.5 0 ] [ 0.75 0.5 0 ] [ 0 0.25 0.5 ] [ 0 0.75 0.5 ] [ 0.5 0.346657 0.192412 ] [ 0.192412 0.5 0.346657 ] [ 0.307588 0.846657 0 ] [ 0 0.692412 0.846657 ] [ 0.346657 0.192412 0.5 ] [ 0.192412 0.5 0.653343 ] [ 0 0 0 ] [ 0.653343 0.807588 0.5 ] [ 0 0.307588 0.153343 ] [ 0.807588 0.5 0.653343 ] [ 0.653343 0.192412 0.5 ] [ 0.5 0.653343 0.807588 ] [ 0.692412 0.846657 0 ] [ 0.346657 0.807588 0.5 ] [ 0.307588 0.153343 0 ] [ 0.846657 0 0.692412 ] [ 0.5 0.653343 0.192412 ] [ 0.846657 0 0.307588 ] [ 0 0.692412 0.153343 ] [ 0.5 0.5 0.5 ] [ 0 0.307588 0.846657 ] [ 0.153343 0 0.692412 ] [ 0.692412 0.153343 0 ] [ 0.5 0.346657 0.807588 ] [ 0.807588 0.5 0.346657 ] [ 0.153343 0 0.307588 ] [ 0.25 0.75 0.25 ] [ 0.75 0.25 0.25 ] [ 0.75 0.75 0.25 ] [ 0.25 0.25 0.75 ] [ 0.75 0.25 0.75 ] [ 0.75 0.75 0.75 ] [ 0.25 0.25 0.25 ] [ 0.25 0.75 0.75 ] ] } "species" { "source-value" [ "Nd" "Nd" "Nd" "Nd" "Nd" "Nd" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Rh" "Rh" "Rh" "Rh" "Rh" "Rh" "Rh" "Rh" ] } "a" { "source-value" 9.82777825 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 5.3696941545 "source-unit" "eV" } }