{ "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" [ 1.1735222864564698e-19 1.6699326838518598e-19 2.0674327067472598e-19 2.4468761989774797e-19 2.8939956322278595e-19 3.4289784320868e-19 4.00927078715526e-19 4.58228926030536e-19 5.11305833561688e-19 5.5858286167776e-19 5.9973476852205e-19 6.350691720082859e-19 6.651500383116359e-19 6.90587796729654e-19 7.11960833027214e-19 7.29785048080464e-19 7.444962339338519e-19 7.56470902096368e-19 7.660198748350079e-19 7.734091134710159e-19 7.788629227331519e-19 7.825719616408619e-19 7.8469644785754595e-19 7.85375770750362e-19 7.850537332469279e-19 7.84004307551658e-19 7.820832977674919e-19 7.791096579347879e-19 7.748510724416159e-19 7.6902075167049e-19 7.61235775405884e-19 7.509930601847219e-19 7.37614885290822e-19 7.201655795699279e-19 6.973265516522579e-19 6.671687808704759e-19 6.26773101397434e-19 5.714964053478e-19 4.9349443592151e-19 3.7840848612465595e-19 1.96792151600952e-19 -1.229827579905132e-19 ] } }