{ "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 0.25 0.75 ] [ 0 0 0.5 ] [ 0.75 0.25 0 ] [ 0.25 0 0.75 ] [ 0 0.75 0.25 ] [ 0 0.5 0 ] [ 0.75 0.75 0.5 ] [ 0.25 0.5 0.25 ] [ 0.5 0.25 0.25 ] [ 0.5 0 0 ] [ 0.25 0.25 0.5 ] [ 0.75 0 0.25 ] [ 0.5 0.75 0.75 ] [ 0.5 0.5 0.5 ] [ 0.25 0.75 0 ] [ 0.75 0.5 0.75 ] [ 0.875 0.875 0.875 ] [ 0.625 0.125 0.625 ] [ 0.875 0.375 0.375 ] [ 0.625 0.625 0.125 ] [ 0.375 0.875 0.375 ] [ 0.125 0.125 0.125 ] [ 0.375 0.375 0.875 ] [ 0.125 0.625 0.625 ] [ 0.496928 0.253072 0.996928 ] [ 0.503072 0.003072 0.746928 ] [ 0.746928 0.003072 0.503072 ] [ 0.746928 0.246928 0.746928 ] [ 0.753072 0.996928 0.996928 ] [ 0.753072 0.753072 0.753072 ] [ 0.003072 0.746928 0.503072 ] [ 0.996928 0.996928 0.753072 ] [ 0.496928 0.753072 0.496928 ] [ 0.503072 0.503072 0.246928 ] [ 0.746928 0.503072 0.003072 ] [ 0.746928 0.746928 0.246928 ] [ 0.753072 0.496928 0.496928 ] [ 0.753072 0.253072 0.253072 ] [ 0.003072 0.246928 0.003072 ] [ 0.996928 0.496928 0.253072 ] [ 0.996928 0.253072 0.496928 ] [ 0.003072 0.003072 0.246928 ] [ 0.246928 0.003072 0.003072 ] [ 0.246928 0.246928 0.246928 ] [ 0.253072 0.996928 0.496928 ] [ 0.253072 0.753072 0.253072 ] [ 0.503072 0.746928 0.003072 ] [ 0.496928 0.996928 0.253072 ] [ 0.996928 0.753072 0.996928 ] [ 0.003072 0.503072 0.746928 ] [ 0.246928 0.503072 0.503072 ] [ 0.246928 0.746928 0.746928 ] [ 0.253072 0.496928 0.996928 ] [ 0.253072 0.253072 0.753072 ] [ 0.503072 0.246928 0.503072 ] [ 0.496928 0.496928 0.753072 ] ] } "species" { "source-value" [ "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "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" 8.53631968962 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 6.675872276428572 "source-unit" "eV" } }