{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-hexagonal-crystal" "instance-id" 1 "space-group" { "source-value" "P6_3/m" } "basis-atom-coordinates" { "source-value" [ [ 0.333333 0.666667 0.75 ] [ 0.666667 0.333333 0.25 ] [ 0.290883 0.381564 0.25 ] [ 0.618436 0.90932 0.25 ] [ 0.09068 0.709117 0.25 ] [ 0.90932 0.290883 0.75 ] [ 0.381564 0.09068 0.75 ] [ 0.709117 0.618436 0.75 ] [ 0.188462 0.208183 0.25 ] [ 0.532551 0.565029 0.75 ] [ 0.257428 0.453268 0.046473 ] [ 0.257428 0.453268 0.453527 ] [ 0.032477 0.467449 0.75 ] [ 0.546732 0.80416 0.453527 ] [ 0.546732 0.80416 0.046473 ] [ 0.791817 0.980279 0.25 ] [ 0.19584 0.742572 0.046473 ] [ 0.19584 0.742572 0.453527 ] [ 0.980279 0.188462 0.75 ] [ 0.565029 0.032477 0.25 ] [ 0.434971 0.967523 0.75 ] [ 0.019721 0.811538 0.25 ] [ 0.80416 0.257428 0.546473 ] [ 0.80416 0.257428 0.953527 ] [ 0.208183 0.019721 0.75 ] [ 0.453268 0.19584 0.953527 ] [ 0.453268 0.19584 0.546473 ] [ 0.967523 0.532551 0.25 ] [ 0.742572 0.546732 0.953527 ] [ 0.742572 0.546732 0.546473 ] [ 0.467449 0.434971 0.25 ] [ 0.811538 0.791817 0.75 ] ] } "species" { "source-value" [ "Sm" "Sm" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "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" 9.38206747 "source-unit" "angstrom" } "c" { "source-value" 5.82014455 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 4.810719348125 "source-unit" "eV" } }