{ "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" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "a" { "source-value" [ 8.14575 7.599955 7.261692 7.015927 6.822785 6.663658 6.52834 6.410625 6.306455 6.213033 6.128347 6.050902 5.979557 5.913419 5.851782 5.79407 5.739814 5.688624 5.64017 5.594176 5.550404 5.508649 5.468732 5.4305 5.391849 5.352019 5.310935 5.268517 5.224675 5.179309 5.13231 5.083556 5.03291 4.980221 4.925316 4.868001 4.808054 4.745222 4.679213 4.609688 4.536253 4.45844 4.375695 4.287349 4.192589 4.09041 3.979552 3.858401 3.72485 3.576066 3.408123 3.215346 2.989095 2.71525 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.14575e-10 7.599955e-10 7.261692e-10 7.015927e-10 6.822785e-10 6.663658000000001e-10 6.52834e-10 6.410625e-10 6.306455e-10 6.213033e-10 6.128347e-10 6.050902e-10 5.979557e-10 5.913419e-10 5.851782e-10 5.794069999999999e-10 5.739814e-10 5.688624e-10 5.640170000000001e-10 5.594176e-10 5.550404000000001e-10 5.508649e-10 5.468732000000001e-10 5.4305e-10 5.391849e-10 5.352019000000001e-10 5.310935e-10 5.268517e-10 5.224675000000001e-10 5.179309e-10 5.132310000000001e-10 5.083556e-10 5.03291e-10 4.980221000000001e-10 4.925315999999999e-10 4.868000999999999e-10 4.808054e-10 4.745222e-10 4.679213e-10 4.6096880000000004e-10 4.5362530000000007e-10 4.4584400000000007e-10 4.3756950000000007e-10 4.287349e-10 4.192589e-10 4.09041e-10 3.979552e-10 3.858401e-10 3.7248500000000003e-10 3.576066e-10 3.408123e-10 3.215346e-10 2.989095e-10 2.71525e-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 0.0179495 0.530879 1.42865 2.1523 2.673 3.06536 3.37474 3.62834 3.84098 4.01966 4.16749 4.28679 4.38217 4.4579 4.51733 4.56312 4.59741 4.62194 4.63813 4.64714 4.64995 4.64711 4.63828 4.62298 4.6007 4.57082 4.53266 4.48546 4.42831 4.36019 4.27994 4.18618 4.07729 3.95138 3.8062 3.63904 3.44663 3.22497 2.9691 2.67281 2.23546 -0.389113 -5.52903 -13.6316 -20.9504 -26.5524 -35.5139 -52.369 -67.7913 -85.1853 -113.521 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 0.0 0.0 0.0 2.8758269491982997e-21 8.505619292812859e-20 2.2889496481641e-19 3.4483647693581996e-19 4.2826181426819997e-19 4.9112481667982395e-19 5.4069295738251595e-19 5.81324156820756e-19 6.15392840766132e-19 6.44020532862444e-19 6.677055100428659e-19 6.86819477286486e-19 7.02101038021578e-19 7.1423432167086e-19 7.23756057406722e-19 7.310924242138079e-19 7.36586287891794e-19 7.405164271749961e-19 7.43110351145442e-19 7.44553912292676e-19 7.450041239268298e-19 7.445491057627739e-19 7.43134383794952e-19 7.40683053544932e-19 7.371134040043799e-19 7.32326100221988e-19 7.262121941866439e-19 7.186499204741639e-19 7.094934810108539e-19 6.98579453780046e-19 6.857219862921959e-19 6.70699978171812e-19 6.5325387680418585e-19 6.33080870805492e-19 6.0982047043308e-19 5.83038485819136e-19 5.522110052043419e-19 5.16697157935098e-19 4.7570226440094e-19 4.28231372912154e-19 3.5816017782416396e-19 -6.234277565856419e-20 -8.858482674685019e-19 -2.18402310040344e-18 -3.3566241352953596e-18 -4.25416348566216e-18 -5.68995407622126e-18 -8.3904388145946e-18 -1.086136368484842e-17 -1.364818972202802e-17 -1.81880693668314e-17 ] } }