{ "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" [ 8.0142 7.477219 7.14442 6.902623 6.7126 6.556043 6.42291 6.307096 6.204609 6.112696 6.029378 5.953183 5.88299 5.817921 5.757278 5.700499 5.647119 5.596755 5.549084 5.503833 5.460768 5.419686 5.380415 5.3428 5.304773 5.265586 5.225166 5.183433 5.140299 5.095665 5.049425 5.001459 4.951631 4.899793 4.845775 4.789385 4.730406 4.668589 4.603646 4.535244 4.462995 4.386438 4.305029 4.21811 4.12488 4.024352 3.915284 3.79609 3.664695 3.518314 3.353083 3.163419 2.940822 2.6714 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.014200000000001e-10 7.477219e-10 7.144420000000001e-10 6.902623000000001e-10 6.7126e-10 6.556043e-10 6.42291e-10 6.307096e-10 6.204609e-10 6.112696e-10 6.029378e-10 5.953183e-10 5.88299e-10 5.817921000000001e-10 5.757278000000001e-10 5.700499e-10 5.647119e-10 5.596755e-10 5.549084e-10 5.503833e-10 5.460768000000001e-10 5.419686e-10 5.380415e-10 5.3428e-10 5.304773e-10 5.265586e-10 5.225166e-10 5.183433e-10 5.140299e-10 5.095665000000001e-10 5.049425000000001e-10 5.001459e-10 4.951631e-10 4.899793e-10 4.845775e-10 4.789385e-10 4.730406e-10 4.668589e-10 4.6036460000000007e-10 4.5352439999999996e-10 4.4629950000000005e-10 4.386438e-10 4.3050290000000006e-10 4.21811e-10 4.12488e-10 4.0243520000000003e-10 3.9152840000000005e-10 3.79609e-10 3.664695e-10 3.5183140000000005e-10 3.353083e-10 3.1634190000000005e-10 2.940822e-10 2.6714e-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" [ 1.82488 2.9591 3.67631 4.17888 4.55858 4.85885 5.10329 5.30611 5.47658 5.62108 5.74423 5.84947 5.93944 6.01623 6.08151 6.13663 6.18629 6.2665 6.30875 6.33311 6.35096 6.36318 6.37022 6.37249 6.37009 6.36245 6.34876 6.32813 6.29948 6.26155 6.21287 6.15167 6.07584 5.98289 5.86976 5.74586 5.58825 5.38537 5.14041 4.84444 4.48598 4.0502 3.51781 2.86317 2.05174 1.03599 -0.251011 -1.90604 -4.07355 -6.97756 -10.9822 -16.7154 -25.3458 -39.2864 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 2.92378009585392e-19 4.7410008776694e-19 5.89009798134054e-19 6.69530389228992e-19 7.303650360219719e-19 7.7847359381109e-19 8.17637199452586e-19 8.50132545943374e-19 8.77444851023172e-19 9.005963033844719e-19 9.203271086321819e-19 9.371884155283979e-19 9.51603198704496e-19 9.63906313076982e-19 9.74365322143734e-19 9.83196519750342e-19 9.911529289147859e-19 1.0040039876960999e-18 1.0107731839747498e-18 1.0146760862551739e-18 1.0175359715468639e-18 1.0194938313936118e-18 1.020621763743948e-18 1.020985457839866e-18 1.020600935447706e-18 1.0193768724993299e-18 1.017183492687384e-18 1.0138782022914419e-18 1.0092879662350318e-18 1.00321091026227e-18 9.954115144079579e-19 9.856061934078779e-19 9.73456887992256e-19 9.58564656179226e-19 9.40439231918784e-19 9.20588263423524e-19 8.9533635749505e-19 8.628313979444579e-19 8.23584479117994e-19 7.761648572814959e-19 7.187332336591319e-19 6.4891358030268e-19 5.636152984851539e-19 4.58730407316978e-19 3.28724988704316e-19 1.6598389710576598e-19 -4.02163959076974e-20 -3.05381275146936e-19 -6.5265466274306995e-19 -1.117928359433304e-18 -1.75954242299148e-18 -2.6781023307963597e-18 -4.06084485300372e-18 -6.29437521139776e-18 ] } }