{ "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" [ [ 0.75 0.25 0 ] [ 0 0 0.5 ] [ 0.75 0 0.25 ] [ 0.5 0.25 0.25 ] [ 0.75 0.75 0.5 ] [ 0 0.5 0 ] [ 0.75 0.5 0.75 ] [ 0.5 0.75 0.75 ] [ 0.25 0.25 0.5 ] [ 0.5 0 0 ] [ 0.25 0 0.75 ] [ 0 0.25 0.75 ] [ 0.25 0.75 0 ] [ 0.5 0.5 0.5 ] [ 0.25 0.5 0.25 ] [ 0 0.75 0.25 ] [ 0.125 0.125 0.125 ] [ 0.875 0.375 0.375 ] [ 0.125 0.625 0.625 ] [ 0.875 0.875 0.875 ] [ 0.625 0.125 0.625 ] [ 0.375 0.375 0.875 ] [ 0.625 0.625 0.125 ] [ 0.375 0.875 0.375 ] [ 0.244341 0.005659 0.505659 ] [ 0.994341 0.255659 0.994341 ] [ 0.494341 0.494341 0.255659 ] [ 0.255659 0.255659 0.255659 ] [ 0.505659 0.005659 0.244341 ] [ 0.744341 0.244341 0.244341 ] [ 0.755659 0.494341 0.994341 ] [ 0.005659 0.244341 0.505659 ] [ 0.244341 0.505659 0.005659 ] [ 0.994341 0.755659 0.494341 ] [ 0.494341 0.994341 0.755659 ] [ 0.255659 0.755659 0.755659 ] [ 0.505659 0.505659 0.744341 ] [ 0.744341 0.744341 0.744341 ] [ 0.755659 0.994341 0.494341 ] [ 0.005659 0.744341 0.005659 ] [ 0.744341 0.005659 0.005659 ] [ 0.494341 0.255659 0.494341 ] [ 0.994341 0.494341 0.755659 ] [ 0.755659 0.255659 0.755659 ] [ 0.005659 0.005659 0.744341 ] [ 0.244341 0.244341 0.744341 ] [ 0.255659 0.494341 0.494341 ] [ 0.505659 0.244341 0.005659 ] [ 0.744341 0.505659 0.505659 ] [ 0.494341 0.755659 0.994341 ] [ 0.994341 0.994341 0.255659 ] [ 0.755659 0.755659 0.255659 ] [ 0.005659 0.505659 0.244341 ] [ 0.244341 0.744341 0.244341 ] [ 0.255659 0.994341 0.994341 ] [ 0.505659 0.744341 0.505659 ] ] } "species" { "source-value" [ "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "short-name" { "source-value" [ "diamond" ] } "a" { "source-value" 8.5156654455 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 6.617813272142857 "source-unit" "eV" } }