{ "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" [ "C" "C" "C" "C" "C" "C" "C" "C" ] } "a" { "source-value" [ 5.48535 5.117811 4.890025 4.724527 4.594465 4.487309 4.396186 4.316916 4.246769 4.183858 4.126831 4.074679 4.026635 3.982098 3.940591 3.901728 3.865192 3.830721 3.798092 3.76712 3.737643 3.709525 3.682646 3.6569 3.639373 3.620927 3.601459 3.58085 3.558958 3.535613 3.510607 3.483686 3.454533 3.422743 3.387792 3.348981 3.305349 3.255528 3.197466 3.127887 3.041061 2.92552 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 5.48535e-10 5.117811e-10 4.890024999999999e-10 4.724527e-10 4.5944649999999997e-10 4.487309e-10 4.3961860000000005e-10 4.3169160000000003e-10 4.2467689999999997e-10 4.183858e-10 4.126831e-10 4.074679e-10 4.026635e-10 3.9820980000000005e-10 3.940591e-10 3.901728e-10 3.8651920000000003e-10 3.830721e-10 3.798092e-10 3.76712e-10 3.737643e-10 3.709525e-10 3.6826460000000005e-10 3.6569e-10 3.639373e-10 3.620927e-10 3.6014590000000003e-10 3.58085e-10 3.5589580000000004e-10 3.535613e-10 3.510607e-10 3.4836860000000003e-10 3.454533e-10 3.422743e-10 3.3877920000000005e-10 3.348981e-10 3.305349e-10 3.255528e-10 3.197466e-10 3.127887e-10 3.041061e-10 2.92552e-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" [ 0.268154 0.788839 1.30013 1.84876 2.47184 3.12279 3.71021 4.17062 4.51546 4.78205 4.99418 5.17215 5.33733 5.49839 5.65295 5.7955 5.92379 6.03942 6.14227 6.23016 6.30036 6.35127 6.38222 6.39266 6.38739 6.36968 6.33634 6.28396 6.2099 6.11424 6.00185 5.88414 5.77619 5.68775 5.61732 5.55399 5.48683 5.38876 5.04928 4.5227 3.57448 1.67154 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 4.296300695740032e-20 1.2638594033752513e-19 2.0830378900007042e-19 2.962040049470208e-19 3.960324258358272e-19 5.003261129668033e-19 5.944411720258368e-19 6.682069858240897e-19 7.234564444157569e-19 7.661688709496641e-19 8.001558436066945e-19 8.28669780927072e-19 8.551345343494464e-19 8.809391910040513e-19 9.05702432855136e-19 9.2854146058464e-19 9.490957844528833e-19 9.676217527191937e-19 9.841001392641216e-19 9.981816695843329e-19 1.009428949462349e-18 1.0175856306388417e-18 1.0225443672802176e-18 1.0242170396723329e-18 1.0233726925931713e-18 1.0205352377977345e-18 1.0151935809439872e-18 1.0068013798042369e-18 9.94935659750592e-19 9.796092381960192e-19 9.61602375154848e-19 9.427431541514114e-19 9.254476575298752e-19 9.1127800749552e-19 8.999938775552258e-19 8.898472930156992e-19 8.790870748304066e-19 8.633745287102209e-19 8.089838367873025e-19 7.246164202892161e-19 5.726948287517184e-19 2.678102308732032e-19 ] } }