{ "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" [ "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" ] } "a" { "source-value" [ 8.13129 7.586464 7.248802 7.003473 6.810674 6.651829 6.516751 6.399245 6.29526 6.202004 6.117469 6.040161 5.968942 5.902922 5.841394 5.783785 5.729625 5.678526 5.630158 5.584246 5.540551 5.49887 5.459024 5.42086 5.382278 5.342518 5.301508 5.259165 5.2154 5.170115 5.123199 5.074532 5.023976 4.971381 4.916573 4.85936 4.799519 4.736799 4.670907 4.601506 4.5282 4.450526 4.367927 4.279738 4.185146 4.083149 3.972488 3.851552 3.718238 3.569718 3.402073 3.209638 2.983788 2.71043 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.131290000000001e-10 7.586464000000001e-10 7.248802e-10 7.003473e-10 6.810674e-10 6.651829000000001e-10 6.516751000000001e-10 6.399245e-10 6.29526e-10 6.202004e-10 6.117469e-10 6.040161e-10 5.968942000000001e-10 5.902922e-10 5.841394e-10 5.783785000000001e-10 5.729625e-10 5.678526e-10 5.630158e-10 5.584246e-10 5.540551e-10 5.49887e-10 5.459024000000001e-10 5.42086e-10 5.382278e-10 5.342518e-10 5.301508e-10 5.259165e-10 5.2154e-10 5.170115e-10 5.123199e-10 5.074532e-10 5.023976e-10 4.971381e-10 4.916573e-10 4.859359999999999e-10 4.799519000000001e-10 4.736799e-10 4.670907e-10 4.601506e-10 4.5282e-10 4.4505260000000003e-10 4.367927e-10 4.2797380000000004e-10 4.1851459999999995e-10 4.0831489999999997e-10 3.972488e-10 3.851552e-10 3.718238e-10 3.569718e-10 3.402073e-10 3.209638e-10 2.9837880000000004e-10 2.71043e-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" [ 1.62002 2.69002 3.39202 3.91402 4.29519 4.59276 4.83491 5.03576 5.2045 5.34747 5.46923 5.57318 5.68507 5.76452 5.82953 5.88439 5.93023 5.96795 5.99835 6.0221 6.03977 6.05188 6.05886 6.06111 6.05873 6.05113 6.03751 6.01696 5.9884 5.95057 5.90194 5.84076 5.76487 5.67175 5.55826 5.42066 5.25433 5.05356 4.81122 4.51835 4.16353 3.73206 3.20469 2.55592 1.75133 0.743511 -0.53433 -2.17889 -4.33462 -7.22586 -11.2177 -16.9405 -25.5697 -39.5374 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 2.59555819061268e-19 4.3098871889926798e-19 5.43461518606068e-19 6.270951389008679e-19 6.881653056590459e-19 7.358412757569839e-19 7.746379829492939e-19 8.0681770064318395e-19 8.338528291653e-19 8.56759148501598e-19 8.762672511971819e-19 8.929218773076119e-19 9.108486316654378e-19 9.23577925022568e-19 9.339936753202019e-19 9.427832163343259e-19 9.50127594024582e-19 9.5617100428803e-19 9.6104162125539e-19 9.6484679076114e-19 9.676778368734179e-19 9.696180727771918e-19 9.70736392067724e-19 9.71096881810374e-19 9.70715563771482e-19 9.694979095296419e-19 9.673157449541339e-19 9.64023271971264e-19 9.5944745550456e-19 9.533864212981379e-19 9.455950363269959e-19 9.35792919680184e-19 9.23634001204758e-19 9.0871453238895e-19 8.905314297696839e-19 8.684854792858438e-19 8.41836475332522e-19 8.09669575051704e-19 7.708424265033479e-19 7.2391947942339e-19 6.670710480958019e-19 5.97941932868604e-19 5.134479437213459e-19 4.0950353023732796e-19 2.80594000442322e-19 1.191235951321974e-19 -8.560910408452199e-20 -3.4909666460562596e-19 -6.944826881269079e-19 -1.157710405255524e-18 -1.79727368272218e-18 -2.7141673268276997e-18 -4.09671758783898e-18 -6.334589844911159e-18 ] } }