{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-cubic-crystal" "instance-id" 1 "space-group" { "source-value" "P4_332" } "basis-atom-coordinates" { "source-value" [ [ 0.996887 0.996887 0.996887 ] [ 0.253113 0.253113 0.253113 ] [ 0.246887 0.746887 0.753113 ] [ 0.503113 0.003113 0.496887 ] [ 0.496887 0.503113 0.003113 ] [ 0.753113 0.246887 0.746887 ] [ 0.746887 0.753113 0.246887 ] [ 0.003113 0.496887 0.503113 ] [ 0.120536 0.129464 0.625 ] [ 0.125 0.379464 0.870536 ] [ 0.129464 0.625 0.120536 ] [ 0.370536 0.375 0.620536 ] [ 0.375 0.620536 0.370536 ] [ 0.379464 0.870536 0.125 ] [ 0.620536 0.370536 0.375 ] [ 0.625 0.120536 0.129464 ] [ 0.629464 0.875 0.879464 ] [ 0.870536 0.125 0.379464 ] [ 0.875 0.879464 0.629464 ] [ 0.879464 0.629464 0.875 ] [ 0.125 0.875 0.375 ] [ 0.375 0.125 0.875 ] [ 0.625 0.625 0.625 ] [ 0.875 0.375 0.125 ] [ 0.112582 0.111548 0.386539 ] [ 0.113461 0.887418 0.611548 ] [ 0.112157 0.612157 0.887843 ] [ 0.138452 0.137418 0.863461 ] [ 0.111548 0.386539 0.112582 ] [ 0.137843 0.362157 0.637843 ] [ 0.136539 0.638452 0.362582 ] [ 0.137418 0.863461 0.138452 ] [ 0.362582 0.136539 0.638452 ] [ 0.363461 0.361548 0.862582 ] [ 0.362157 0.637843 0.137843 ] [ 0.388452 0.613461 0.612582 ] [ 0.361548 0.862582 0.363461 ] [ 0.387843 0.387843 0.387843 ] [ 0.386539 0.112582 0.111548 ] [ 0.387418 0.888452 0.886539 ] [ 0.612582 0.388452 0.613461 ] [ 0.613461 0.612582 0.388452 ] [ 0.612157 0.887843 0.112157 ] [ 0.638452 0.362582 0.136539 ] [ 0.611548 0.113461 0.887418 ] [ 0.637843 0.137843 0.362157 ] [ 0.636539 0.861548 0.637418 ] [ 0.637418 0.636539 0.861548 ] [ 0.862582 0.363461 0.361548 ] [ 0.863461 0.138452 0.137418 ] [ 0.862157 0.862157 0.862157 ] [ 0.888452 0.886539 0.387418 ] [ 0.861548 0.637418 0.636539 ] [ 0.887843 0.112157 0.612157 ] [ 0.886539 0.387418 0.888452 ] [ 0.887418 0.611548 0.113461 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Sb" "Sb" "Sb" "Sb" "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" ] } "a" { "source-value" 8.54076426 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 6.947520298035714 "source-unit" "eV" } }