{ "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" [ "Si" "Si" "Si" "Si" ] } "a" { "source-value" [ 5.97361 5.573357 5.325296 5.145066 5.003428 4.886733 4.787499 4.701174 4.624783 4.556273 4.494169 4.437375 4.385055 4.336554 4.291353 4.24903 4.209243 4.171702 4.13617 4.10244 4.07034 4.039719 4.010447 3.98241 3.963323 3.943235 3.922034 3.899591 3.875751 3.850327 3.823096 3.793779 3.762031 3.727411 3.689349 3.647083 3.599567 3.545312 3.482082 3.406309 3.311756 3.18593 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 5.97361e-10 5.573357e-10 5.325296e-10 5.145066e-10 5.003428e-10 4.886733e-10 4.787499000000001e-10 4.701174e-10 4.624783e-10 4.556273e-10 4.4941690000000003e-10 4.4373750000000004e-10 4.3850550000000003e-10 4.3365539999999996e-10 4.2913530000000003e-10 4.2490300000000003e-10 4.209243e-10 4.171702e-10 4.13617e-10 4.1024399999999995e-10 4.07034e-10 4.039719e-10 4.0104470000000004e-10 3.9824099999999997e-10 3.963323e-10 3.943235e-10 3.922034e-10 3.8995910000000004e-10 3.875751e-10 3.850327e-10 3.823096e-10 3.793779e-10 3.762031e-10 3.7274110000000004e-10 3.689349e-10 3.647083e-10 3.599567e-10 3.5453120000000004e-10 3.4820820000000003e-10 3.4063089999999997e-10 3.311756e-10 3.18593e-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 1.0526 1.41333 1.72707 2.0068 2.25825 2.48535 2.69101 2.87742 3.04631 3.19906 3.33681 3.46052 3.57098 3.66889 3.75483 3.82932 3.89281 3.94569 3.98833 4.02104 4.0441 4.05777 4.06228 4.06006 4.05272 4.03896 4.01715 3.98513 3.94008 3.87818 3.79423 3.68096 3.52799 3.32005 3.03392 2.63279 2.05528 1.1921 -0.168467 -2.48746 -6.95391 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 0.0 1.6864511110540801e-19 2.264404283475264e-19 2.7670711764850563e-19 3.21524804262144e-19 3.6181153539216e-19 3.98196966450528e-19 4.311473308339008e-19 4.610135052222336e-19 4.880726661709248e-19 5.125459140536448e-19 5.346158970051648e-19 5.544364239810816e-19 5.721340669344384e-19 5.878209782286913e-19 6.015900841078465e-19 6.135246977561857e-19 6.236969171216448e-19 6.321692270924352e-19 6.390009082035264e-19 6.442416279301633e-19 6.479362472177281e-19 6.501264226583616e-19 6.508490043143425e-19 6.504933211045248e-19 6.493173234648576e-19 6.471127284346369e-19 6.43618381224672e-19 6.384882116848704e-19 6.312704060081665e-19 6.213529327254144e-19 6.079026599937984e-19 5.897548054099968e-19 5.652463096416192e-19 5.31930648988704e-19 4.860875693377537e-19 4.2181945854760324e-19 3.2929215651978246e-19 1.90995474965568e-19 -2.699138887763136e-20 -3.985350257175168e-19 -1.1141392025147328e-18 ] } }