{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-cubic-crystal" "instance-id" 1 "space-group" { "source-value" "I2_13" } "basis-atom-coordinates" { "source-value" [ [ 0.257477 0.757477 0.742523 ] [ 0.757477 0.742523 0.257477 ] [ 0.742523 0.257477 0.757477 ] [ 0.242523 0.242523 0.242523 ] [ 0.757477 0.257477 0.242523 ] [ 0.257477 0.242523 0.757477 ] [ 0.242523 0.757477 0.257477 ] [ 0.742523 0.742523 0.742523 ] [ 0.046181 0.443098 0.932783 ] [ 0.067217 0.546181 0.056902 ] [ 0.943098 0.567217 0.953819 ] [ 0.546181 0.056902 0.067217 ] [ 0.567217 0.953819 0.943098 ] [ 0.443098 0.932783 0.046181 ] [ 0.953819 0.943098 0.567217 ] [ 0.932783 0.046181 0.443098 ] [ 0.056902 0.067217 0.546181 ] [ 0.953819 0.056902 0.932783 ] [ 0.932783 0.953819 0.056902 ] [ 0.056902 0.932783 0.953819 ] [ 0.546181 0.943098 0.432783 ] [ 0.567217 0.046181 0.556902 ] [ 0.443098 0.067217 0.453819 ] [ 0.046181 0.556902 0.567217 ] [ 0.067217 0.453819 0.443098 ] [ 0.943098 0.432783 0.546181 ] [ 0.453819 0.443098 0.067217 ] [ 0.432783 0.546181 0.943098 ] [ 0.556902 0.567217 0.046181 ] [ 0.453819 0.556902 0.432783 ] [ 0.432783 0.453819 0.556902 ] [ 0.556902 0.432783 0.453819 ] [ 0.003421 0.503421 0.996579 ] [ 0.503421 0.996579 0.003421 ] [ 0.996579 0.003421 0.503421 ] [ 0.996579 0.996579 0.996579 ] [ 0.503421 0.003421 0.496579 ] [ 0.003421 0.496579 0.503421 ] [ 0.496579 0.503421 0.003421 ] [ 0.496579 0.496579 0.496579 ] [ 0.399215 0.858621 0.806848 ] [ 0.193152 0.899215 0.641379 ] [ 0.858621 0.193152 0.100785 ] [ 0.899215 0.641379 0.193152 ] [ 0.193152 0.100785 0.858621 ] [ 0.858621 0.806848 0.399215 ] [ 0.100785 0.858621 0.193152 ] [ 0.806848 0.399215 0.858621 ] [ 0.641379 0.193152 0.899215 ] [ 0.100785 0.141379 0.306848 ] [ 0.306848 0.100785 0.141379 ] [ 0.141379 0.306848 0.100785 ] [ 0.615415 0.144644 0.186395 ] [ 0.813605 0.115415 0.355356 ] [ 0.144644 0.813605 0.884585 ] [ 0.115415 0.355356 0.813605 ] [ 0.813605 0.884585 0.144644 ] [ 0.144644 0.186395 0.615415 ] [ 0.884585 0.144644 0.813605 ] [ 0.186395 0.615415 0.144644 ] [ 0.355356 0.813605 0.115415 ] [ 0.884585 0.855356 0.686395 ] [ 0.686395 0.884585 0.855356 ] [ 0.855356 0.686395 0.884585 ] [ 0.899215 0.358621 0.306848 ] [ 0.693152 0.399215 0.141379 ] [ 0.358621 0.693152 0.600785 ] [ 0.399215 0.141379 0.693152 ] [ 0.693152 0.600785 0.358621 ] [ 0.358621 0.306848 0.899215 ] [ 0.600785 0.358621 0.693152 ] [ 0.306848 0.899215 0.358621 ] [ 0.141379 0.693152 0.399215 ] [ 0.600785 0.641379 0.806848 ] [ 0.806848 0.600785 0.641379 ] [ 0.641379 0.806848 0.600785 ] [ 0.115415 0.644644 0.686395 ] [ 0.313605 0.615415 0.855356 ] [ 0.644644 0.313605 0.384585 ] [ 0.615415 0.855356 0.313605 ] [ 0.313605 0.384585 0.644644 ] [ 0.644644 0.686395 0.115415 ] [ 0.384585 0.644644 0.313605 ] [ 0.686395 0.115415 0.644644 ] [ 0.855356 0.313605 0.615415 ] [ 0.384585 0.355356 0.186395 ] [ 0.186395 0.384585 0.355356 ] [ 0.355356 0.186395 0.384585 ] ] } "species" { "source-value" [ "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "O" "O" "O" "O" "O" "O" "O" "O" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" ] } "a" { "source-value" 10.22698446 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 4.646197185681818 "source-unit" "eV" } }