{ "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" [ "Tm" "Tm" "Tm" "Tm" "Tm" "Tm" "Tm" "Tm" ] } "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" [ 0.260726 0.390814 0.505146 0.609934 0.707882 0.799635 0.886192 0.967556 1.04398 1.11563 1.18265 1.24518 1.30304 1.35622 1.40487 1.44891 1.48809 1.52233 1.55154 1.57563 1.5945 1.60803 1.61636 1.61918 1.616 1.60538 1.58535 1.55356 1.50673 1.44077 1.35041 1.22878 1.06685 0.852745 0.570289 0.197663 -0.294799 -0.949408 -1.8256 -3.0086 -4.62495 -6.86491 -10.0243 -14.5737 -21.2899 -31.5085 -47.6359 -74.2702 -120.823 -208.314 -389.188 -814.959 -2021.79 -6570.81 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 4.17729105076284e-20 6.261530590400759e-20 8.09333117958564e-20 9.77222003082156e-20 1.1341520000291878e-19 1.28115651272859e-19 1.4198361156377278e-19 1.550195615286504e-19 1.6726403623633198e-19 1.7874363181894197e-19 1.8948141962000998e-19 1.9949983011241197e-19 2.08770024116736e-19 2.17290399456348e-19 2.25084988780758e-19 2.3214097467689396e-19 2.3841830272890597e-19 2.43904155523722e-19 2.4858411347163596e-19 2.52443756982942e-19 2.554670642913e-19 2.57634809277102e-19 2.58969422413224e-19 2.59421236224012e-19 2.589117440544e-19 2.57210232469092e-19 2.5400107267119e-19 2.48907753151704e-19 2.4140475997468196e-19 2.30836802896818e-19 2.1635953483199401e-19 1.96872260432652e-19 1.7092821419829e-19 1.36624811376033e-19 9.13703710427226e-20 3.16691040006342e-20 -4.7232006952656594e-20 -1.5211193137326719e-19 -2.9249336630303996e-19 -4.820308621052399e-19 -7.4099868234183e-19 -1.0998798396512939e-18 -1.60606992322062e-18 -2.33496416109258e-18 -3.41101803201966e-18 -5.0482182472388996e-18 -7.63211259195606e-18 -1.1899397904250679e-17 -1.9357978744978197e-17 -3.3375582333507596e-17 -6.23547919833192e-17 -1.3057082674680058e-16 -3.2392646968548595e-16 -1.052759824845354e-15 ] } }