{ "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" [ 9.62722 8.982161 8.58238 8.291917 8.063649 7.875581 7.715653 7.576529 7.453414 7.343002 7.242914 7.151384 7.067063 6.988898 6.91605 6.847842 6.783719 6.723219 6.665953 6.611594 6.559861 6.510511 6.463336 6.41815 6.372469 6.325395 6.27684 6.226707 6.174891 6.121274 6.065727 6.008106 5.94825 5.885978 5.821087 5.753348 5.682498 5.608239 5.530224 5.448055 5.361264 5.269299 5.171504 5.067091 4.955096 4.834334 4.703314 4.560129 4.402289 4.226445 4.027957 3.800119 3.532719 3.20907 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 9.62722e-10 8.982161e-10 8.582380000000001e-10 8.291917e-10 8.063649e-10 7.875581e-10 7.715653e-10 7.576529000000001e-10 7.453414000000001e-10 7.343002000000001e-10 7.242914e-10 7.151384000000001e-10 7.067063e-10 6.988898e-10 6.91605e-10 6.847842e-10 6.783719e-10 6.723219000000001e-10 6.665953e-10 6.611594e-10 6.559861e-10 6.510511000000001e-10 6.463336e-10 6.41815e-10 6.372469e-10 6.325395e-10 6.27684e-10 6.226707e-10 6.174891e-10 6.121274e-10 6.065727e-10 6.008106e-10 5.94825e-10 5.885978e-10 5.821087000000001e-10 5.753348e-10 5.682498e-10 5.608239e-10 5.530224e-10 5.448055e-10 5.361264000000001e-10 5.269299e-10 5.171503999999999e-10 5.067091e-10 4.955096000000001e-10 4.834334e-10 4.703314e-10 4.560129e-10 4.402289e-10 4.2264450000000004e-10 4.0279569999999997e-10 3.800119e-10 3.5327190000000005e-10 3.20907e-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" [ 0.0441172 0.248613 0.362171 0.471621 0.603919 0.959747 1.62557 2.30495 2.89627 3.37734 3.77485 4.10715 4.3756 4.58603 4.74641 4.86424 4.94859 5.00965 5.05451 5.08808 5.11359 5.13186 5.14283 5.14648 5.14244 5.1291 5.10446 5.06735 5.01925 4.96256 4.9003 4.83629 4.77527 4.72337 4.68836 4.67377 4.68026 4.70519 4.73814 4.75427 4.71403 4.57515 4.28409 3.76465 2.8924 1.29883 -1.61589 -6.71987 -14.9257 -26.9689 -44.5878 -72.2757 -115.694 -190.443 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 7.06835469975048e-21 3.9832193950864195e-20 5.80261913712414e-20 7.556201463037139e-20 9.675849106286459e-20 1.537684217951598e-19 2.60445027093138e-19 3.6929370325382993e-19 4.640336119755179e-19 5.41109523307356e-19 6.047976466854899e-19 6.580379762333099e-19 7.0104840797304e-19 7.34763010882302e-19 7.60458719738394e-19 7.793371670168159e-19 7.92851526924606e-19 8.026344174518099e-19 8.098217818319339e-19 8.152002887922719e-19 8.1928744138560595e-19 8.222146180959239e-19 8.239722058634219e-19 8.24557000334832e-19 8.239097209746959e-19 8.2177241734493995e-19 8.17824654118764e-19 8.118789766299899e-19 8.0417250702045e-19 7.950897676823039e-19 7.851146159590199e-19 7.74859083324786e-19 7.650826015041179e-19 7.567673047736579e-19 7.51158084378024e-19 7.488205086690179e-19 7.498603213044839e-19 7.5385454765304595e-19 7.591337196620759e-19 7.617180305727179e-19 7.55270871797502e-19 7.3301984270450995e-19 6.863868895953059e-19 6.0316342651881e-19 4.634135696181599e-19 2.0809550775382198e-19 -2.58894120111426e-19 -1.076641869751758e-18 -2.39136077860938e-18 -4.32089414246826e-18 -7.14375313214652e-18 -1.157984377459938e-17 -1.85362223493996e-17 -3.05123324708862e-17 ] } }