{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "diamond" ] } "species" { "source-value" [ "Am" "Am" "Am" "Am" "Am" "Am" "Am" "Am" ] } "a" { "source-value" [ 12.0082 11.203611 10.704959 10.342661 10.05794 9.823361 9.623881 9.45035 9.296787 9.159069 9.034228 8.920062 8.814887 8.71739 8.626526 8.54145 8.461469 8.386006 8.314578 8.246775 8.182248 8.120693 8.06185 8.00549 7.967121 7.926739 7.884121 7.839005 7.791081 7.739974 7.685233 7.6263 7.562479 7.492886 7.416373 7.331409 7.235892 7.126826 6.99972 6.847401 6.657327 6.40439 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 1.20082e-09 1.1203611e-09 1.0704959000000001e-09 1.0342661e-09 1.0057940000000001e-09 9.823361000000001e-10 9.623881e-10 9.450350000000001e-10 9.296787e-10 9.159069e-10 9.034228000000001e-10 8.920062e-10 8.814887000000001e-10 8.71739e-10 8.626526e-10 8.54145e-10 8.461469e-10 8.386006000000001e-10 8.314578e-10 8.246775e-10 8.182248e-10 8.120693e-10 8.06185e-10 8.00549e-10 7.967121e-10 7.926739000000001e-10 7.884121e-10 7.839005e-10 7.791081e-10 7.739974e-10 7.685233000000001e-10 7.6263e-10 7.562479e-10 7.492886000000001e-10 7.416373e-10 7.331409e-10 7.235892e-10 7.126826000000001e-10 6.99972e-10 6.847401e-10 6.657327000000001e-10 6.40439e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0.5 0 ] [ 0.5 0 0.5 ] [ 0.75 0.25 0.75 ] [ 0.25 0.25 0.25 ] [ 0.25 0.75 0.75 ] [ 0.75 0.75 0.25 ] ] } "cohesive-potential-energy" { "source-value" [ 0.193592 0.290183 0.375074 0.452878 0.525603 0.593728 0.657995 0.718406 0.775152 0.828346 0.878108 0.924533 0.967496 1.00698 1.0431 1.0758 1.10489 1.13031 1.152 1.16989 1.18389 1.19394 1.20013 1.20222 1.20117 1.19762 1.19088 1.18001 1.16379 1.14049 1.10772 1.06213 0.998857 0.910717 0.786657 0.609145 0.348609 -0.0471678 -0.678846 -1.7613 -3.82432 -8.52256 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 3.101685763739136e-20 4.6492441835360647e-20 6.009347938699393e-20 7.255905436746625e-20 8.421088384223425e-20 9.512571207143425e-20 1.054224205603296e-19 1.151013297442445e-19 1.2419304119663616e-19 1.3271565951331969e-19 1.4068841081374465e-19 1.4812651577580866e-19 1.550099471917517e-19 1.6133598136131842e-19 1.67123043315648e-19 1.7236216086566402e-19 1.770228926555712e-19 1.810956256256448e-19 1.8457074671616e-19 1.8743704069077123e-19 1.8968008795989123e-19 1.9129027546379522e-19 1.922820227920704e-19 1.9261687770581761e-19 1.9244864916063362e-19 1.9187987646024959e-19 1.9080000941783041e-19 1.890584434310208e-19 1.8645971295208324e-19 1.827266414256192e-19 1.774763086392576e-19 1.701719854250304e-19 1.6003453329224257e-19 1.4591294855651137e-19 1.2603634539886657e-19 9.759578776772161e-20 5.585331896004672e-20 -7.557114641457025e-21 -1.0876311903235967e-19 -2.8219136822150405e-19 -6.127236094457857e-19 -1.365464638136525e-18 ] } }