{ "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" [ [ 0.25 0.5 0 ] [ 0.75 0.5 0 ] [ 0.5 0 0.25 ] [ 0.5 0 0.75 ] [ 0 0.75 0.5 ] [ 0 0.25 0.5 ] [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0 0.300126 0.153346 ] [ 0.5 0.346654 0.800126 ] [ 0.5 0.653346 0.199874 ] [ 0.653346 0.800126 0.5 ] [ 0.346654 0.800126 0.5 ] [ 0.199874 0.5 0.653346 ] [ 0.800126 0.5 0.653346 ] [ 0.153346 0 0.300126 ] [ 0.300126 0.153346 0 ] [ 0.699874 0.846654 0 ] [ 0.153346 0 0.699874 ] [ 0.699874 0.153346 0 ] [ 0.846654 0 0.300126 ] [ 0.846654 0 0.699874 ] [ 0.300126 0.846654 0 ] [ 0 0.699874 0.846654 ] [ 0 0.300126 0.846654 ] [ 0 0.699874 0.153346 ] [ 0.800126 0.5 0.346654 ] [ 0.199874 0.5 0.346654 ] [ 0.653346 0.199874 0.5 ] [ 0.346654 0.199874 0.5 ] [ 0.5 0.653346 0.800126 ] [ 0.5 0.346654 0.199874 ] [ 0.25 0.25 0.25 ] [ 0.75 0.25 0.75 ] [ 0.75 0.75 0.25 ] [ 0.25 0.75 0.75 ] [ 0.75 0.75 0.75 ] [ 0.25 0.75 0.25 ] [ 0.25 0.25 0.75 ] [ 0.75 0.25 0.25 ] ] } "species" { "source-value" [ "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "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" 9.95126145 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 4.84432158225 "source-unit" "eV" } }