{ "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" [ "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" ] } "a" { "source-value" [ 8.28205 7.727123 7.383201 7.133323 6.93695 6.775161 6.637578 6.517894 6.411981 6.316996 6.230893 6.152152 6.079613 6.012369 5.949701 5.891023 5.83586 5.783813 5.734549 5.687785 5.64328 5.600826 5.560242 5.52137 5.494907 5.467056 5.437662 5.406547 5.373493 5.338245 5.30049 5.259844 5.215828 5.16783 5.115059 5.05646 4.990583 4.91536 4.827696 4.722642 4.591549 4.4171 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.28205e-10 7.727123e-10 7.383201e-10 7.133323e-10 6.936950000000001e-10 6.775161000000001e-10 6.637578000000001e-10 6.517894e-10 6.411981e-10 6.316996e-10 6.230893000000001e-10 6.152152e-10 6.079613e-10 6.012369e-10 5.949701e-10 5.891023e-10 5.83586e-10 5.783813e-10 5.734549e-10 5.687785e-10 5.64328e-10 5.600826e-10 5.560242e-10 5.52137e-10 5.494907e-10 5.467056e-10 5.437662000000001e-10 5.406547e-10 5.373493e-10 5.338245e-10 5.30049e-10 5.259844e-10 5.215828e-10 5.167830000000001e-10 5.115059e-10 5.056460000000001e-10 4.990583e-10 4.91536e-10 4.827696000000001e-10 4.722642e-10 4.5915489999999997e-10 4.4170999999999997e-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" [ 0.732455 1.04229 1.29039 1.52722 1.80629 2.1402 2.50239 2.86004 3.19132 3.4864 3.74325 3.96379 4.15154 4.31031 4.44371 4.55496 4.64678 4.72152 4.78112 4.82724 4.86128 4.88443 4.89769 4.90193 4.89992 4.89337 4.88138 4.86282 4.83624 4.79985 4.75126 4.68733 4.60383 4.49492 4.35237 4.16414 3.91201 3.567 3.08015 2.36184 1.22828 -0.767598 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.173522276788064e-19 1.669932670093632e-19 2.067432689714112e-19 2.4468761788181763e-19 2.893995608384832e-19 3.4289784038361603e-19 4.0092707541237126e-19 4.582289222552833e-19 5.113058293491456e-19 5.585828570757121e-19 5.997347635809601e-19 6.350691667760832e-19 6.651500328316032e-19 6.905877910400449e-19 7.119608271615169e-19 7.297850420679169e-19 7.444962278001024e-19 7.564708958639616e-19 7.660198685239295e-19 7.734091070990592e-19 7.788629163162624e-19 7.825719551934145e-19 7.846964413925952e-19 7.853757642798145e-19 7.850537267790336e-19 7.840043010924096e-19 7.820832913240705e-19 7.791096515158656e-19 7.748510660577793e-19 7.690207453346881e-19 7.612357691342209e-19 7.509930539974465e-19 7.376148792137665e-19 7.201655736366336e-19 6.973265459071295e-19 6.671687753738112e-19 6.267730962335808e-19 5.714964006393601e-19 4.934944318557121e-19 3.784084830070272e-19 1.9679214997962242e-19 -1.2298275697728386e-19 ] } }