{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-cubic-crystal" "instance-id" 1 "space-group" { "source-value" "Im3" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0.25 0.75 0.25 ] [ 0.25 0.25 0.25 ] [ 0.75 0.75 0.25 ] [ 0.25 0.75 0.75 ] [ 0.75 0.25 0.75 ] [ 0.75 0.75 0.75 ] [ 0.25 0.25 0.75 ] [ 0.75 0.25 0.25 ] [ 0 0.5 0 ] [ 0.5 0 0 ] [ 0.5 0.5 0 ] [ 0.5 0 0.5 ] [ 0 0.5 0.5 ] [ 0 0 0.5 ] [ 0 0.830131 0.302732 ] [ 0 0.169869 0.697268 ] [ 0 0.830131 0.697268 ] [ 0.697268 0 0.169869 ] [ 0.830131 0.302732 0 ] [ 0.169869 0.302732 0 ] [ 0.302732 0 0.169869 ] [ 0.169869 0.697268 0 ] [ 0 0.169869 0.302732 ] [ 0.302732 0 0.830131 ] [ 0.830131 0.697268 0 ] [ 0.697268 0 0.830131 ] [ 0.5 0.330131 0.802732 ] [ 0.5 0.669869 0.197268 ] [ 0.5 0.330131 0.197268 ] [ 0.197268 0.5 0.669869 ] [ 0.330131 0.802732 0.5 ] [ 0.669869 0.802732 0.5 ] [ 0.802732 0.5 0.669869 ] [ 0.669869 0.197268 0.5 ] [ 0.5 0.669869 0.802732 ] [ 0.802732 0.5 0.330131 ] [ 0.330131 0.197268 0.5 ] [ 0.197268 0.5 0.330131 ] ] } "species" { "source-value" [ "Y" "Y" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "a" { "source-value" 7.41297271521 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 6.825685093500001 "source-unit" "eV" } }