{ "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" [ "Kr" "Kr" "Kr" "Kr" "Kr" "Kr" "Kr" "Kr" ] } "a" { "source-value" [ 13.735 12.814699 12.244333 11.829932 11.504263 11.235948 11.007779 10.809292 10.633645 10.476121 10.333326 10.202741 10.08244 9.970922 9.866991 9.76968 9.678195 9.591879 9.510179 9.432625 9.358818 9.288411 9.221106 9.15664 9.091468 9.024309 8.955036 8.883512 8.809587 8.733094 8.653846 8.57164 8.486244 8.397402 8.304825 8.208182 8.107103 8.001158 7.889857 7.772628 7.648805 7.517601 7.378079 7.229115 7.069335 6.897047 6.710123 6.505845 6.280657 6.029785 5.746608 5.421557 5.040063 4.57832 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 1.3735e-09 1.2814698999999999e-09 1.2244332999999999e-09 1.1829932e-09 1.1504263e-09 1.1235948000000001e-09 1.1007779e-09 1.0809292e-09 1.0633645e-09 1.0476121e-09 1.0333326e-09 1.0202741e-09 1.008244e-09 9.970922e-10 9.866991e-10 9.76968e-10 9.678195000000001e-10 9.591879e-10 9.510179e-10 9.432625e-10 9.358818e-10 9.288411e-10 9.221106000000001e-10 9.15664e-10 9.091468000000001e-10 9.024309000000001e-10 8.955036e-10 8.883512e-10 8.809587000000001e-10 8.733094e-10 8.653846e-10 8.571640000000001e-10 8.486244e-10 8.397402e-10 8.304825e-10 8.208182000000001e-10 8.107103000000001e-10 8.001158e-10 7.889857000000001e-10 7.772628e-10 7.648805000000001e-10 7.517601e-10 7.378079e-10 7.229115e-10 7.069335e-10 6.897047e-10 6.710123000000001e-10 6.505845e-10 6.280657e-10 6.029785000000001e-10 5.746608e-10 5.421557e-10 5.040063000000001e-10 4.57832e-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" [ 0.00549282 0.00865103 0.0114132 0.01398 0.0164675 0.0187949 0.0209803 0.0230343 0.0249635 0.0267717 0.0284611 0.0300326 0.0314861 0.032821 0.0340472 0.0351675 0.0361649 0.0370374 0.0377828 0.0383986 0.0388824 0.0392315 0.039443 0.0395142 0.0394353 0.0392047 0.0387395 0.0379772 0.0368381 0.0352197 0.0329894 0.0299743 0.0259468 0.0206049 0.0135431 0.00421019 -0.00815135 -0.0244836 -0.0463631 -0.0759721 -0.116499 -0.17265 -0.251933 -0.366233 -0.535155 -0.792322 -1.19854 -1.86961 -3.0435 -5.25078 -9.81662 -20.5701 -51.0624 -166.042 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 8.800467858767879e-22 1.386047812603302e-21 1.82859623591688e-21 2.2398429343319998e-21 2.6383843720394997e-21 3.01127496183666e-21 3.3614146434310197e-21 3.69050172405462e-21 3.9995936402858995e-21 4.2892992192457795e-21 4.55997093979374e-21 4.81175299782684e-21 5.04462937157874e-21 5.2585039304514e-21 5.454962829312479e-21 5.634454677619499e-21 5.79425577509466e-21 5.9340456864111595e-21 6.05347193270952e-21 6.152133969831239e-21 6.229647275384159e-21 6.2855792616771e-21 6.3194652974861994e-21 6.330872795120279e-21 6.3182316214780194e-21 6.28128542829798e-21 6.2067521712843e-21 6.08461824647448e-21 5.902114306095539e-21 5.6428180396489795e-21 5.28548458496796e-21 4.8024123080506195e-21 4.15713566870712e-21 3.3012689325906596e-21 2.16984383719254e-21 6.74546804270046e-22 -1.30599025055559e-21 -3.92270518362024e-21 -7.428187549980539e-21 -1.217207234559114e-20 -1.86651975684366e-20 -2.766157958601e-20 -4.03641165933522e-20 -5.867699551997219e-20 -8.5741283656827e-20 -1.2694397950041479e-19 -1.9202727829143598e-19 -2.99544545669274e-19 -4.876224585578999e-19 -8.412677026274519e-19 -1.572795918885708e-18 -3.2956933579043396e-18 -8.181098415596159e-18 -2.66028612662628e-17 ] } }