{ "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" [ "C" "C" "C" "C" ] } "a" { "source-value" [ 4.09137 3.817233 3.647334 3.523893 3.426884 3.346959 3.278993 3.219868 3.167547 3.120623 3.078088 3.03919 3.003355 2.970136 2.939177 2.910191 2.88294 2.857228 2.832891 2.80979 2.787804 2.766832 2.746783 2.72758 2.714507 2.700748 2.686228 2.670856 2.654527 2.637115 2.618463 2.598384 2.576639 2.552928 2.526858 2.49791 2.465366 2.428205 2.384898 2.333001 2.26824 2.18206 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 4.0913700000000007e-10 3.817233e-10 3.647334e-10 3.5238930000000005e-10 3.426884e-10 3.3469590000000003e-10 3.278993e-10 3.219868e-10 3.167547e-10 3.120623e-10 3.0780880000000003e-10 3.03919e-10 3.0033550000000003e-10 2.970136e-10 2.939177e-10 2.910191e-10 2.8829400000000003e-10 2.8572280000000004e-10 2.8328910000000003e-10 2.80979e-10 2.787804e-10 2.766832e-10 2.7467830000000005e-10 2.7275800000000003e-10 2.714507e-10 2.700748e-10 2.686228e-10 2.670856e-10 2.654527e-10 2.637115e-10 2.6184630000000004e-10 2.598384e-10 2.576639e-10 2.552928e-10 2.526858e-10 2.4979100000000003e-10 2.465366e-10 2.4282050000000005e-10 2.384898e-10 2.333001e-10 2.26824e-10 2.18206e-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" [ 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.17591 0.591744 1.09535 1.59221 2.03204 2.39151 2.66302 2.84779 2.95204 2.9846 2.96988 2.92349 2.84226 2.72328 2.56425 2.36402 2.12317 1.8453 1.53843 1.21748 0.882522 0.468354 -0.0606181 -0.755411 -1.70215 -3.05875 -5.14995 -8.77069 ] "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 0.0 0.0 0.0 0.0 0.0 0.0 2.81838889364928e-20 9.480784022986754e-20 1.75494416159328e-19 2.551001637403968e-19 3.255686980530432e-19 3.831621410409408e-19 4.2666283847228163e-19 4.562662558948032e-19 4.729689471666432e-19 4.78185634243968e-19 4.758272302581504e-19 4.683947329142593e-19 4.553802522235009e-19 4.363175547892224e-19 4.1083813998864e-19 3.7875775751036164e-19 3.401693335983936e-19 2.95649651836224e-19 2.4648365787373443e-19 1.950617992291584e-19 1.4139561157416577e-19 7.503858290581632e-20 -9.712090261731648e-21 -1.210301843295149e-19 -2.7271449350947203e-19 -4.900657738872001e-19 -8.25112948828896e-19 -1.4052194466284352e-18 ] } }