{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-hexagonal-crystal" "instance-id" 1 "space-group" { "source-value" "P3" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0.751691 ] [ 0.666667 0.333333 0.004637 ] [ 0.333333 0.666667 0.499602 ] [ 0.001056 0.670456 0.751545 ] [ 0.337313 0.000006 0.248134 ] [ 0.6694 0.998944 0.751545 ] [ 0.999994 0.337306 0.248134 ] [ 0.329544 0.3306 0.751545 ] [ 0.662694 0.662687 0.248134 ] [ 0.441704 0.264418 0.255238 ] [ 0.593147 0.487199 0.748686 ] [ 0.822714 0.558296 0.255238 ] [ 0.838527 0.762699 0.747426 ] [ 0.066487 0.850631 0.24788 ] [ 0.10694 0.592638 0.249208 ] [ 0.237301 0.075828 0.747426 ] [ 0.254181 0.820952 0.749906 ] [ 0.485698 0.89306 0.249208 ] [ 0.512801 0.105948 0.748686 ] [ 0.735582 0.177286 0.255238 ] [ 0.784145 0.933513 0.24788 ] [ 0.894052 0.406853 0.748686 ] [ 0.924172 0.161473 0.747426 ] [ 0.149369 0.215855 0.24788 ] [ 0.179048 0.433229 0.749906 ] [ 0.407362 0.514302 0.249208 ] [ 0.566771 0.745819 0.749906 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Sm" "Sm" "Sm" "Sm" "Sm" "Sm" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" ] } "a" { "source-value" 13.77228588 "source-unit" "angstrom" } "c" { "source-value" 3.83276109 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 4.394272015925925 "source-unit" "eV" } }