{ "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" [ "Np" "Np" "Np" "Np" "Np" "Np" "Np" "Np" ] } "a" { "source-value" [ 12.6754 11.826096 11.299731 10.917299 10.616754 10.369139 10.158572 9.975397 9.813301 9.667929 9.53615 9.415639 9.304619 9.201704 9.10579 9.015986 8.93156 8.851903 8.776505 8.704934 8.636821 8.571846 8.509733 8.45024 8.390096 8.328118 8.264189 8.198183 8.129961 8.059369 7.986235 7.91037 7.831563 7.749575 7.664139 7.574952 7.481671 7.383899 7.281185 7.172999 7.058729 6.937646 6.808888 6.671416 6.523963 6.364966 6.192463 6.003944 5.796128 5.56461 5.303279 5.003304 4.651241 4.22512 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 1.26754e-09 1.1826096e-09 1.1299731e-09 1.0917299e-09 1.0616754e-09 1.0369139e-09 1.0158572e-09 9.975397e-10 9.813301e-10 9.667929e-10 9.53615e-10 9.415639e-10 9.304619000000001e-10 9.201704e-10 9.105790000000001e-10 9.015986e-10 8.931559999999999e-10 8.851903e-10 8.776505e-10 8.704934e-10 8.636821e-10 8.571846000000002e-10 8.509733000000001e-10 8.450240000000001e-10 8.390096000000001e-10 8.328118e-10 8.264189e-10 8.198183e-10 8.129961e-10 8.059369000000001e-10 7.986235e-10 7.910370000000001e-10 7.831563000000001e-10 7.749575e-10 7.664138999999999e-10 7.574952e-10 7.481671e-10 7.383899e-10 7.281185e-10 7.172999000000001e-10 7.058729e-10 6.937646e-10 6.808887999999999e-10 6.671416e-10 6.523963e-10 6.364966e-10 6.192463000000001e-10 6.003944e-10 5.796128000000001e-10 5.564610000000001e-10 5.303279e-10 5.003304e-10 4.651241e-10 4.2251200000000004e-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" [ 1.45953 2.18775 2.82777 3.41437 3.96268 4.4763 4.96085 5.41631 5.84415 6.24521 6.62038 6.97041 7.29433 7.59201 7.86435 8.11089 8.33022 8.5219 8.68544 8.82028 8.92588 9.00165 9.0483 9.06405 9.04627 8.9868 8.87467 8.69674 8.43457 8.06532 7.55949 6.87862 5.97217 4.77361 3.19244 1.1065 -1.65026 -5.31472 -10.2196 -16.842 -25.8902 -38.4293 -56.1154 -81.5827 -119.18 -176.382 -266.662 -415.76 -676.36 -1166.13 -2178.65 -4562.09 -11317.8 -36782.9 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 2.33842486262202e-19 3.5051619310334996e-19 4.53058702032618e-19 5.470423833830579e-19 6.34891330401912e-19 7.1718232667742e-19 7.948157954778899e-19 8.67788532450054e-19 9.3633605755911e-19 1.000592953642314e-18 1.060701814420092e-18 1.1167828031399939e-18 1.168680508668522e-18 1.216374102709434e-18 1.26000778115979e-18 1.2995078438944257e-18 1.334648384007948e-18 1.36535890572846e-18 1.391560902400896e-18 1.413164652133752e-18 1.4300836373887918e-18 1.44222332974461e-18 1.4496974837422198e-18 1.4522209119407699e-18 1.449372241885518e-18 1.43984409744312e-18 1.4218788908460778e-18 1.393371361997316e-18 1.351367097183738e-18 1.292206724973288e-18 1.2111638242956659e-18 1.1020764238165079e-18 9.568471228275779e-19 7.648166401828739e-19 5.11485277344696e-19 1.7728084455209999e-19 -2.6440080120248397e-19 -8.51512020025248e-19 -1.6373604328826398e-18 -2.6983858869827994e-18 -4.14806734895868e-18 -6.157052652097619e-18 -8.99067826875636e-18 -1.3070989567863179e-17 -1.9094741124012e-17 -2.8259511905818796e-17 -4.2723962557570794e-17 -6.661209573518399e-17 -1.08364818817224e-16 -1.86834623820642e-16 -3.4905821236641e-16 -7.309274000205059e-16 -1.8133114708285197e-15 -5.89327029107586e-15 ] } }