{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "sc" ] } "species" { "source-value" [ "Ir" ] } "a" { "source-value" [ 4.02684 3.757027 3.589807 3.468314 3.372834 3.29417 3.227276 3.169083 3.117587 3.071404 3.02954 2.991255 2.955985 2.923291 2.89282 2.86429 2.837469 2.812163 2.78821 2.765473 2.743834 2.723193 2.70346 2.68456 2.665453 2.645763 2.625453 2.604484 2.58281 2.560384 2.53715 2.513049 2.488012 2.461965 2.434823 2.40649 2.376855 2.345794 2.313162 2.278793 2.24249 2.204023 2.163118 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 4.0268400000000003e-10 3.757027e-10 3.589807e-10 3.468314e-10 3.3728340000000005e-10 3.29417e-10 3.227276e-10 3.169083e-10 3.117587e-10 3.071404e-10 3.02954e-10 2.9912550000000004e-10 2.9559850000000003e-10 2.923291e-10 2.89282e-10 2.86429e-10 2.837469e-10 2.812163e-10 2.78821e-10 2.765473e-10 2.7438340000000004e-10 2.7231930000000003e-10 2.70346e-10 2.68456e-10 2.665453e-10 2.6457630000000004e-10 2.625453e-10 2.6044839999999997e-10 2.5828099999999997e-10 2.560384e-10 2.53715e-10 2.513049e-10 2.488012e-10 2.461965e-10 2.4348230000000003e-10 2.40649e-10 2.376855e-10 2.3457940000000005e-10 2.313162e-10 2.278793e-10 2.2424900000000002e-10 2.204023e-10 2.163118e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] ] } "cohesive-potential-energy" { "source-value" [ 3.27408 4.91338 6.35068 7.6656 8.887 10.035 11.1149 12.1305 13.0882 13.9861 14.8251 15.6092 16.335 17.0021 17.6102 18.1591 18.6471 19.0733 19.4365 19.7377 19.9736 20.1428 20.2439 20.2758 20.2361 20.1031 19.8524 19.4529 18.8648 18.0371 16.9038 15.379 13.3501 10.6666 7.12757 2.46483 -3.70303 -11.8967 -22.8625 -37.6726 -57.9121 -85.9654 -125.522 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 5.245654473846719e-19 7.872102629962919e-19 1.0174911106011119e-18 1.22816452055904e-18 1.4238543746358e-18 1.6077842522189999e-18 1.78080330692466e-18 1.9435203658736997e-18 2.09696082211188e-18 2.24082026207874e-18 2.37524288167134e-18 2.5008695515432796e-18 2.617155531639e-18 2.7240367348931396e-18 2.8214650960066795e-18 2.9094085714469398e-18 2.9875947911861394e-18 3.0558795593272196e-18 3.1140706146740998e-18 3.16232817489018e-18 3.20012352168624e-18 3.22723235033352e-18 3.24343035610326e-18 3.24854129956572e-18 3.24218065832874e-18 3.22087170909654e-18 3.1807051408821597e-18 3.1166981843538595e-18 3.0224741765083196e-18 2.8898620165121395e-18 2.70828733858092e-18 2.4639874454286e-18 2.13892182815634e-18 1.70897772842244e-18 1.141962611119938e-18 3.94909303278222e-19 -5.93290814100102e-19 -1.9060614761707798e-18 -3.6629763294824995e-18 -6.03581594620284e-18 -9.27854134458714e-18 -1.3773175521246359e-17 -2.01108415452948e-17 ] } }