{ "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" [ "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" ] } "a" { "source-value" [ 9.53514 8.89625 8.500292 8.212607 7.986522 7.800253 7.641854 7.504061 7.382124 7.272767 7.173637 7.082982 6.999467 6.922049 6.849898 6.782343 6.718833 6.658911 6.602193 6.548354 6.497116 6.448238 6.401513 6.35676 6.326293 6.294228 6.260387 6.224563 6.186509 6.145928 6.102461 6.055665 6.004988 5.949728 5.888973 5.821507 5.745663 5.659059 5.558131 5.437182 5.286254 5.08541 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 9.53514e-10 8.89625e-10 8.500292000000001e-10 8.212607e-10 7.986522e-10 7.800253e-10 7.641854000000001e-10 7.504061e-10 7.382124e-10 7.272767e-10 7.173637e-10 7.082982000000001e-10 6.999467e-10 6.922049000000001e-10 6.849898e-10 6.782343000000001e-10 6.718833000000001e-10 6.658911e-10 6.602193e-10 6.548354e-10 6.497116e-10 6.448238e-10 6.401513e-10 6.356760000000001e-10 6.326293e-10 6.294228e-10 6.260387e-10 6.224563e-10 6.186509e-10 6.145928e-10 6.102461e-10 6.055665e-10 6.004988e-10 5.949728e-10 5.888973000000001e-10 5.821507e-10 5.745663000000001e-10 5.659059e-10 5.558131e-10 5.437182e-10 5.286253999999999e-10 5.085410000000001e-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" [ 1.26624 1.47488 1.62102 1.73372 1.82478 1.90039 1.96427 2.01887 2.06587 2.10652 2.14177 2.17233 2.1988 2.22164 2.24125 2.25795 2.27201 2.28366 2.29312 2.30056 2.30612 2.30996 2.31218 2.3129 2.31256 2.31143 2.30935 2.30611 2.30144 2.29499 2.28632 2.27483 2.25561 2.22924 2.20305 2.16855 2.122 2.05783 1.96666 1.83127 1.61639 1.23641 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 2.02874014103616e-19 2.3630182739539196e-19 2.59716036724668e-19 2.7777256738984796e-19 2.92361987819052e-19 3.04476045348726e-19 3.14710749686718e-19 3.23458634108358e-19 3.3098886428815797e-19 3.37501712305368e-19 3.43149384940218e-19 3.48045636733722e-19 3.5228659828392e-19 3.5594596971597594e-19 3.5908783809524998e-19 3.6176347307403e-19 3.6401613342143396e-19 3.6588266920004395e-19 3.6739832829580797e-19 3.6859034771150395e-19 3.69481157920008e-19 3.7009639374746396e-19 3.70452076960212e-19 3.7056743367786e-19 3.70512959672304e-19 3.70331913712662e-19 3.6999866097278995e-19 3.6947955574337394e-19 3.6873133925529596e-19 3.6769793532636597e-19 3.66308848184688e-19 3.64467947232222e-19 3.6138856374167396e-19 3.5716362395781595e-19 3.5296752335337e-19 3.4744001396607e-19 3.3998188173479994e-19 3.2970071427442197e-19 3.15093669902244e-19 2.9340180045451797e-19 2.58974228943126e-19 1.9809472120439398e-19 ] } }