{ "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" [ "O" "O" "O" "O" "O" "O" "O" "O" ] } "a" { "source-value" [ 5.91996 5.523301 5.277467 5.098856 4.958489 4.842843 4.7445 4.65895 4.583244 4.51535 4.453804 4.39752 4.345669 4.297604 4.252808 4.210866 4.171436 4.134233 4.099019 4.065593 4.033781 4.003435 3.974425 3.94664 3.91855 3.889603 3.859746 3.828918 3.797055 3.764086 3.729929 3.694497 3.65769 3.619398 3.579496 3.537842 3.494275 3.448611 3.400639 3.350112 3.296742 3.240191 3.180055 3.11585 3.046983 2.972724 2.892157 2.80411 2.707051 2.598922 2.476868 2.336767 2.172338 1.97332 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 5.91996e-10 5.523301e-10 5.277466999999999e-10 5.098856e-10 4.958489000000001e-10 4.842843e-10 4.744500000000001e-10 4.65895e-10 4.583244e-10 4.51535e-10 4.453804e-10 4.39752e-10 4.345669e-10 4.297604e-10 4.252808e-10 4.2108660000000004e-10 4.1714360000000003e-10 4.134233e-10 4.0990190000000004e-10 4.0655929999999997e-10 4.033781e-10 4.0034349999999996e-10 3.9744250000000005e-10 3.94664e-10 3.9185500000000004e-10 3.889603e-10 3.859746e-10 3.828918e-10 3.797055e-10 3.764086e-10 3.729929e-10 3.694497e-10 3.65769e-10 3.619398e-10 3.579496e-10 3.537842e-10 3.4942750000000003e-10 3.4486110000000003e-10 3.400639e-10 3.3501120000000004e-10 3.296742e-10 3.240191e-10 3.180055e-10 3.11585e-10 3.046983e-10 2.972724e-10 2.8921570000000004e-10 2.80411e-10 2.707051e-10 2.598922e-10 2.476868e-10 2.336767e-10 2.172338e-10 1.97332e-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 0 0 0 0 0 0 0 0.0201085 0.170488 0.416085 0.699044 0.979779 1.23651 1.45958 1.64642 1.79824 1.91812 2.00986 2.07741 2.12456 2.15473 2.17097 2.17587 2.17136 2.16119 2.14614 2.12535 2.09778 2.06218 2.01706 1.9606 1.89059 1.80431 1.69841 1.56871 1.40999 1.21562 0.977149 0.68365 0.320833 -0.130216 -0.69495 -1.40815 -2.31836 -3.49473 -5.03832 -7.62179 -16.7503 -26.3877 -37.8427 -53.0258 -81.5255 -131.315 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 3.2217368844789e-21 2.7315188997739196e-20 6.666416647578899e-20 1.119991962937896e-19 1.5697790202838859e-19 1.9811074297073398e-19 2.33850497145372e-19 2.63785565375028e-19 2.8810981103241597e-19 3.07316704520808e-19 3.22015072961124e-19 3.32837776123794e-19 3.4039203895310394e-19 3.4522580585788195e-19 3.4782774071149797e-19 3.48612807262158e-19 3.47890225600224e-19 3.46260811963446e-19 3.4384953612927595e-19 3.4051861090718997e-19 3.36101409927252e-19 3.30397661110212e-19 3.2316864013760396e-19 3.1412275086204e-19 3.02905912247406e-19 2.89082332249254e-19 2.72115281695194e-19 2.51335050752214e-19 2.25905303217366e-19 1.9476379598230797e-19 1.5655652957364658e-19 1.0953280558341e-19 5.1403113601612196e-20 -2.08629032572944e-20 -1.1134326517982999e-19 -2.2561050271671e-19 -3.71442222120024e-19 -5.59917474813882e-19 -8.072278578614879e-19 -1.221145384725486e-18 -2.68369392724902e-18 -4.22777563650018e-18 -6.06306897074718e-18 -8.49566977591572e-18 -1.3061825117516698e-17 -2.1038982469371e-17 ] } }