{ "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 2.671693 2.658152 2.64386 2.628731 2.61266 2.595522 2.577166 2.557403 2.536001 2.512664 2.487007 2.458515 2.426484 2.38991 2.347287 2.296209 2.232469 2.14765 ] "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 2.671693e-10 2.658152e-10 2.64386e-10 2.6287310000000005e-10 2.61266e-10 2.595522e-10 2.577166e-10 2.557403e-10 2.536001e-10 2.512664e-10 2.4870070000000005e-10 2.458515e-10 2.426484e-10 2.3899100000000003e-10 2.347287e-10 2.2962090000000003e-10 2.2324690000000002e-10 2.14765e-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 20.2581 20.1984 20.0848 19.9014 19.6271 19.2329 18.6788 17.9083 16.8396 15.3514 13.258 10.2616 5.86693 -0.806318 -11.4567 -29.7016 -64.4948 -143.723 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 5.245654430628865e-19 7.872102565106305e-19 1.0174911022182144e-18 1.228164510440448e-18 1.4238543629049602e-18 1.6077842389728002e-18 1.7808032922529922e-18 1.94352034986144e-18 2.0969608048354564e-18 2.240820243617088e-18 2.375242862102208e-18 2.500869530939136e-18 2.6171555100768e-18 2.724036712450368e-18 2.821465072761216e-18 2.9094085474769278e-18 2.9875947665719678e-18 3.0558795341504642e-18 3.11407058901792e-18 3.162328148836416e-18 3.2001234953210885e-18 3.2272323237450244e-18 3.243430329381312e-18 3.2485412728016643e-18 3.245705420182848e-18 3.236140425756672e-18 3.2179396993443842e-18 3.188555780118912e-18 3.144608075410368e-18 3.081450273018432e-18 2.992673666459904e-18 2.8692259578272643e-18 2.698001342362368e-18 2.4595654176549122e-18 2.12416576385664e-18 1.644089561200128e-18 9.399858081870144e-19 -1.2918638485302145e-19 -1.835565689151936e-18 -4.758720912035328e-18 -1.0333206072317184e-17 -2.3026963047123842e-17 ] } }