{ "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" [ "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" ] } "a" { "source-value" [ 8.85435 8.261076 7.893388 7.626244 7.4163 7.243331 7.096241 6.968286 6.855055 6.753506 6.661453 6.577271 6.499719 6.427829 6.360829 6.298097 6.239122 6.183478 6.13081 6.080815 6.033234 5.987847 5.944458 5.9029 5.860887 5.817592 5.772934 5.726826 5.67917 5.629857 5.57877 5.525775 5.470724 5.413452 5.35377 5.291469 5.226308 5.15801 5.086258 5.010686 4.930862 4.84628 4.756337 4.660306 4.557303 4.446236 4.325734 4.194044 4.048875 3.887149 3.704596 3.495049 3.249116 2.95145 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.854350000000001e-10 8.261075999999999e-10 7.893388e-10 7.626244000000001e-10 7.4163e-10 7.243331000000001e-10 7.096241e-10 6.968286e-10 6.855055000000001e-10 6.753506e-10 6.661453e-10 6.577271e-10 6.499719e-10 6.427829e-10 6.360829e-10 6.298097e-10 6.239122e-10 6.183478000000001e-10 6.13081e-10 6.080815000000001e-10 6.033234000000001e-10 5.987847e-10 5.944458000000001e-10 5.9029e-10 5.860887e-10 5.817592e-10 5.772934e-10 5.726826e-10 5.67917e-10 5.629857e-10 5.57877e-10 5.525775000000001e-10 5.470724e-10 5.413452e-10 5.35377e-10 5.291469e-10 5.226308e-10 5.15801e-10 5.086258e-10 5.010686e-10 4.930862e-10 4.84628e-10 4.756337000000001e-10 4.660306000000001e-10 4.5573030000000003e-10 4.446236e-10 4.325734e-10 4.1940440000000003e-10 4.048875e-10 3.887149e-10 3.704596e-10 3.495049e-10 3.249116e-10 2.95145e-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" [ 0.491946 0.764924 0.986051 1.17852 1.34414 1.49172 1.62691 1.75022 1.86278 1.96719 2.06465 2.15543 2.23747 2.31125 2.37791 2.43768 2.49056 2.53648 2.57507 2.60554 2.62846 2.64485 2.65477 2.65818 2.65386 2.63855 2.60955 2.56466 2.50063 2.4128 2.29537 2.14019 1.93414 1.66072 1.29878 0.820071 0.18925 -0.637894 -1.71779 -3.12005 -4.9286 -7.26675 -10.2814 -14.1308 -19.0242 -25.2792 -33.3189 -43.7467 -57.4401 -75.7287 -100.717 -136.083 -189.994 -285.76 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 7.881843863897639e-20 1.225543359585816e-19 1.579827872132334e-19 1.8881972067016798e-19 2.1535497008247597e-19 2.3899989284704795e-19 2.60659718762094e-19 2.80416158835948e-19 2.98450259028252e-19 3.1517858526384597e-19 3.3079339873880995e-19 3.4533795822226195e-19 3.58482215327598e-19 3.7030307453324993e-19 3.8098318397549395e-19 3.9055939371691194e-19 3.9903170375750395e-19 4.06388898860832e-19 4.1257169849143803e-19 4.17453530695236e-19 4.21125719540364e-19 4.2375168704348994e-19 4.25341046264418e-19 4.25887388496612e-19 4.2519524819072394e-19 4.2274231576406994e-19 4.1809600352547e-19 4.1090383261544395e-19 4.00645095627942e-19 3.8657317825151995e-19 3.67758818038458e-19 3.42896241032046e-19 3.09883391488476e-19 2.6607667796164797e-19 2.08087496870652e-19 1.313898594421014e-19 3.0321192798449995e-20 -1.0220188617687958e-19 -2.7522030001188596e-19 -4.9988712069117e-19 -7.8964877583324e-19 -1.1642617055119499e-18 -1.6472618844807598e-18 -2.26400375797272e-18 -3.0480128720542797e-18 -4.05017435662128e-18 -5.3382763050582595e-18 -7.00899405546078e-18 -9.20291860746234e-18 -1.213307536631958e-17 -1.61366424046578e-17 -2.1802900288462197e-17 -3.0440394740019596e-17 -4.578379949318399e-17 ] } }