{ "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 3.927724 3.907816 3.886806 3.864564 3.840938 3.815743 3.788756 3.759702 3.728239 3.69393 3.65621 3.614323 3.567234 3.513465 3.450803 3.375711 3.282006 3.15731 ] "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 3.927724e-10 3.907816e-10 3.8868060000000003e-10 3.864564e-10 3.840938e-10 3.815743e-10 3.788756e-10 3.759702e-10 3.728239e-10 3.6939300000000003e-10 3.6562100000000003e-10 3.614323e-10 3.5672340000000003e-10 3.513465e-10 3.450803e-10 3.375711e-10 3.282006e-10 3.15731e-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 2.17372 2.16807 2.15998 2.1489 2.13412 2.11473 2.08952 2.05687 2.0146 1.95961 1.88752 1.79178 1.66234 1.48296 1.22565 0.838075 0.210232 -0.933803 ] "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 3.4826833928584794e-19 3.47363109487638e-19 3.4606694859073196e-19 3.4429173688025996e-19 3.4192371981520793e-19 3.3881709932188203e-19 3.3477801202756794e-19 3.2954690531755796e-19 3.2277450468564e-19 3.13964135375274e-19 3.02414044020768e-19 2.87074804926852e-19 2.6633623057635595e-19 2.37596386115664e-19 1.9637077914620998e-19 1.34274418253955e-19 3.36828798119088e-20 -1.496117347359102e-19 ] } }