{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "fcc" ] } "species" { "source-value" [ "Al" "Al" "Al" "Al" ] } "a" { "source-value" [ 6.075 5.667953 5.415681 5.232392 5.088349 4.969674 4.868755 4.780965 4.703277 4.633604 4.570446 4.512688 4.45948 4.410155 4.364187 4.321146 4.280683 4.242506 4.20637 4.172068 4.139423 4.108282 4.078513 4.05 4.030589 4.01016 3.988599 3.965775 3.94153 3.915675 3.887981 3.858167 3.82588 3.790673 3.751964 3.708981 3.660659 3.605482 3.541179 3.46412 3.367961 3.24 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 6.075e-10 5.667953e-10 5.415681e-10 5.232392e-10 5.088349e-10 4.969674000000001e-10 4.868755e-10 4.780965000000001e-10 4.703277000000001e-10 4.633604e-10 4.5704459999999997e-10 4.512688e-10 4.4594800000000003e-10 4.4101549999999995e-10 4.3641870000000003e-10 4.321146e-10 4.280683e-10 4.242506e-10 4.20637e-10 4.1720680000000007e-10 4.139423e-10 4.108282e-10 4.0785130000000005e-10 4.05e-10 4.030589e-10 4.01016e-10 3.988599e-10 3.965775e-10 3.9415300000000006e-10 3.915675e-10 3.887981e-10 3.858167e-10 3.8258800000000005e-10 3.7906730000000003e-10 3.751964e-10 3.7089810000000005e-10 3.660659e-10 3.605482e-10 3.541179e-10 3.46412e-10 3.367961e-10 3.24e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0 ] ] } "cohesive-potential-energy" { "source-value" [ 2.17332 2.44262 2.59302 2.69642 2.77647 2.84327 2.90171 2.95435 3.00262 3.0473 3.08883 3.12742 3.16319 3.19615 3.2263 3.25358 3.27792 3.29926 3.31752 3.33263 3.3445 3.35306 3.35825 3.35999 3.35913 3.35628 3.35097 3.34262 3.33045 3.31346 3.2903 3.25918 3.21757 3.16195 3.08717 2.9855 2.8448 2.64509 2.35118 1.89545 1.13103 -0.326871 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 3.48204252220488e-19 3.913508689741079e-19 4.1544760554946797e-19 4.3201411194502795e-19 4.44839535900198e-19 4.555420758153179e-19 4.64905196064414e-19 4.733390538657899e-19 4.81072760478108e-19 4.8823128567882e-19 4.94885125239822e-19 5.010679248704279e-19 5.06798910690246e-19 5.120796848759099e-19 5.1691024742742e-19 5.212809852849719e-19 5.25180683212128e-19 5.28599728149084e-19 5.31525302682768e-19 5.33946191576742e-19 5.358479752413e-19 5.37219438440004e-19 5.3805096811305e-19 5.383297468473659e-19 5.381919596568419e-19 5.37735339316152e-19 5.368845835234979e-19 5.355467660341079e-19 5.335969170705299e-19 5.30874818969364e-19 5.271641778850199e-19 5.22178204200012e-19 5.155115472259379e-19 5.0660024078763e-19 4.94619163918578e-19 4.783298340807e-19 4.5578720884032e-19 4.23790139282706e-19 3.7670056583281195e-19 3.0368457009152997e-19 1.8121098383530197e-19 -5.23705078532214e-20 ] } }