{ "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" [ 9.12974 8.518013 8.138889 7.863435 7.646962 7.468613 7.316948 7.185013 7.06826 6.963553 6.868637 6.781836 6.701872 6.627746 6.558662 6.493979 6.433169 6.375795 6.321488 6.269938 6.220878 6.174079 6.129341 6.08649 6.057318 6.026616 5.994214 5.959914 5.923477 5.884621 5.843002 5.798195 5.749673 5.696763 5.63859 5.573993 5.501373 5.418451 5.321813 5.206007 5.061495 4.86919 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 9.12974e-10 8.518013e-10 8.138889000000001e-10 7.863435e-10 7.646962000000001e-10 7.468613e-10 7.316948000000001e-10 7.185013e-10 7.068260000000001e-10 6.963553e-10 6.868637e-10 6.781836e-10 6.701872e-10 6.627746e-10 6.558662000000001e-10 6.493979000000001e-10 6.433169000000001e-10 6.375795e-10 6.321488000000001e-10 6.269938e-10 6.220878e-10 6.174079e-10 6.129341e-10 6.086490000000001e-10 6.057318000000001e-10 6.026616e-10 5.994214e-10 5.959914000000001e-10 5.923477e-10 5.884621e-10 5.843002e-10 5.798195e-10 5.749673e-10 5.696763e-10 5.63859e-10 5.573993e-10 5.501373e-10 5.418451e-10 5.321813e-10 5.206007e-10 5.061495e-10 4.86919e-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" [ 0.47335 0.626733 0.739555 0.829495 0.904103 0.967353 1.02182 1.06914 1.1105 1.14675 1.17856 1.20645 1.23087 1.25215 1.27059 1.28646 1.29992 1.31117 1.32034 1.32761 1.33312 1.33693 1.33914 1.33986 1.33951 1.33834 1.33618 1.3328 1.32789 1.32107 1.31184 1.29951 1.28313 1.26143 1.23249 1.19352 1.14023 1.06563 0.95759 0.793226 0.524207 0.0274764 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 7.5839030345568e-20 1.0041369600838464e-19 1.184897730795744e-19 1.328997496070496e-19 1.4485326893951425e-19 1.5498703606607425e-19 1.637136114665856e-19 1.712951112362112e-19 1.7792171373984003e-19 1.8372960399024e-19 1.8882612782100482e-19 1.9329459841641603e-19 1.972071137244096e-19 2.0061654557347203e-19 2.0357095926222724e-19 2.061136135594368e-19 2.0827014329103362e-19 2.1007259198943361e-19 2.1154178795070722e-19 2.1270657035402882e-19 2.1358936967208964e-19 2.141997989646144e-19 2.145538799978112e-19 2.146692367145088e-19 2.1461316053278082e-19 2.1442570586814722e-19 2.140796357180544e-19 2.1353810002022402e-19 2.127514312994112e-19 2.116587468440256e-19 2.101799378230272e-19 2.082044540495808e-19 2.0558008874471042e-19 2.021033654775744e-19 1.9746666633697923e-19 1.912229840457216e-19 1.8268498483347842e-19 1.7073274724231042e-19 1.534228310311872e-19 1.2708881522107008e-19 8.398721998597056e-20 4.402204570374913e-21 ] } }