{ "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" [ "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" ] } "a" { "source-value" [ 8.82805 8.236539 7.869944 7.603593 7.394273 7.221818 7.075165 6.94759 6.834696 6.733449 6.641669 6.557737 6.480416 6.408739 6.341939 6.279393 6.220593 6.165114 6.112602 6.062756 6.015317 5.970064 5.926805 5.88537 5.857162 5.827475 5.796144 5.762977 5.727744 5.690173 5.649929 5.606603 5.559685 5.508523 5.452273 5.38981 5.31959 5.239408 5.145965 5.033985 4.89425 4.7083 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.828049999999999e-10 8.236539e-10 7.869944e-10 7.603593e-10 7.394273000000001e-10 7.221818e-10 7.075165000000001e-10 6.94759e-10 6.834696e-10 6.733449000000001e-10 6.641669e-10 6.557737e-10 6.480416000000001e-10 6.408739e-10 6.341939000000001e-10 6.279393e-10 6.220593e-10 6.165114e-10 6.112602e-10 6.062756e-10 6.015317e-10 5.970064e-10 5.926805e-10 5.88537e-10 5.857161999999999e-10 5.827475e-10 5.796144e-10 5.762977000000001e-10 5.727744e-10 5.690173e-10 5.649929e-10 5.606603e-10 5.559685e-10 5.508523e-10 5.452273000000001e-10 5.38981e-10 5.31959e-10 5.239408e-10 5.145965000000001e-10 5.033985000000001e-10 4.894250000000001e-10 4.7083e-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" [ 0.516916 0.665049 0.767935 0.868893 0.962869 1.04219 1.10866 1.1665 1.2187 1.26678 1.31133 1.35251 1.39028 1.4246 1.45542 1.48272 1.50638 1.52636 1.54269 1.55553 1.56508 1.57159 1.57531 1.57649 1.57594 1.57414 1.57087 1.56582 1.55854 1.54849 1.53493 1.51695 1.49339 1.4628 1.42332 1.37249 1.30699 1.22192 1.10931 0.951843 0.710169 0.326256 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 8.28190730117453e-20 1.0655259594864192e-19 1.230367503294048e-19 1.3921200505767744e-19 1.5426862006930753e-19 1.669772452431552e-19 1.776269132416128e-19 1.8689390281632003e-19 1.95257264776896e-19 2.0296052996970242e-19 2.1009822681536642e-19 2.1669599013982082e-19 2.227474112365824e-19 2.2824608139916804e-19 2.331839897444736e-19 2.375579319192576e-19 2.413486818040704e-19 2.445498306924288e-19 2.471661851141952e-19 2.4922337989530243e-19 2.507534585681664e-19 2.517964755483072e-19 2.523924852512448e-19 2.525815420924992e-19 2.524934223783552e-19 2.522050305866112e-19 2.516811188316096e-19 2.508720196381056e-19 2.497056350581632e-19 2.480954475542592e-19 2.459228960564544e-19 2.4304218249225603e-19 2.3926745437365123e-19 2.3436639609062403e-19 2.280410027917056e-19 2.1989713902817923e-19 2.0940288216193923e-19 1.9577316564879359e-19 1.7773105472196482e-19 1.5250206012721344e-19 1.1378161686169154e-19 5.2271973559572484e-20 ] } }