{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-cubic-crystal" "instance-id" 1 "space-group" { "source-value" "Fd-3m" } "basis-atom-coordinates" { "source-value" [ [ 0.743924 0.006076 0.006076 ] [ 0.743924 0.243924 0.243924 ] [ 0.506076 0.243924 0.006076 ] [ 0.993924 0.493924 0.756076 ] [ 0.756076 0.256076 0.756076 ] [ 0.756076 0.493924 0.993924 ] [ 0.993924 0.256076 0.993924 ] [ 0.506076 0.006076 0.243924 ] [ 0.743924 0.506076 0.506076 ] [ 0.743924 0.743924 0.743924 ] [ 0.506076 0.743924 0.506076 ] [ 0.993924 0.993924 0.256076 ] [ 0.756076 0.756076 0.256076 ] [ 0.756076 0.993924 0.493924 ] [ 0.993924 0.756076 0.493924 ] [ 0.506076 0.506076 0.743924 ] [ 0.243924 0.006076 0.506076 ] [ 0.243924 0.243924 0.743924 ] [ 0.006076 0.243924 0.506076 ] [ 0.493924 0.493924 0.256076 ] [ 0.256076 0.256076 0.256076 ] [ 0.256076 0.493924 0.493924 ] [ 0.493924 0.256076 0.493924 ] [ 0.006076 0.006076 0.743924 ] [ 0.243924 0.506076 0.006076 ] [ 0.243924 0.743924 0.243924 ] [ 0.006076 0.743924 0.006076 ] [ 0.493924 0.993924 0.756076 ] [ 0.256076 0.756076 0.756076 ] [ 0.256076 0.993924 0.993924 ] [ 0.493924 0.756076 0.993924 ] [ 0.006076 0.506076 0.243924 ] [ 0 0.5 0 ] [ 0 0.25 0.75 ] [ 0.75 0.5 0.75 ] [ 0.75 0.25 0 ] [ 0 0 0.5 ] [ 0 0.75 0.25 ] [ 0.75 0 0.25 ] [ 0.75 0.75 0.5 ] [ 0.5 0.5 0.5 ] [ 0.5 0.25 0.25 ] [ 0.25 0.5 0.25 ] [ 0.25 0.25 0.5 ] [ 0.5 0 0 ] [ 0.5 0.75 0.75 ] [ 0.25 0 0.75 ] [ 0.25 0.75 0 ] ] } "species" { "source-value" [ "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" ] } "short-name" { "source-value" [ "diamond" ] } "a" { "source-value" 8.63909416741 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 8.982729910833333 "source-unit" "eV" } }