{ "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" [ 9.19046 8.574665 8.193019 7.915733 7.69782 7.518285 7.365612 7.232799 7.11527 7.009866 6.914319 6.826941 6.746445 6.671826 6.602283 6.537169 6.475955 6.418199 6.363531 6.311638 6.262252 6.215141 6.170106 6.12697 6.097604 6.066698 6.034081 5.999552 5.962874 5.92376 5.881864 5.83676 5.787915 5.734653 5.676094 5.611067 5.537964 5.454491 5.357212 5.240635 5.095164 4.90158 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 9.19046e-10 8.574665e-10 8.193019e-10 7.915733000000001e-10 7.69782e-10 7.518285e-10 7.365612e-10 7.232799e-10 7.11527e-10 7.009866e-10 6.914319e-10 6.826941e-10 6.746444999999999e-10 6.671826000000001e-10 6.602283e-10 6.537168999999999e-10 6.475955e-10 6.418199e-10 6.363531e-10 6.311638000000001e-10 6.262252e-10 6.215141e-10 6.170106e-10 6.12697e-10 6.097604e-10 6.066698e-10 6.034081e-10 5.999552000000001e-10 5.962874e-10 5.923759999999999e-10 5.881864e-10 5.836760000000001e-10 5.787915e-10 5.734653e-10 5.676094e-10 5.611067e-10 5.537964e-10 5.454491e-10 5.357212e-10 5.240635e-10 5.095164e-10 4.90158e-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" [ 2.07154 2.18022 2.30594 2.43345 2.54983 2.65298 2.74473 2.82715 2.90149 2.96838 3.02816 3.08112 3.12761 3.16801 3.20277 3.23232 3.2571 3.27751 3.29396 3.30679 3.31633 3.32286 3.32662 3.32784 3.32726 3.32536 3.32186 3.3164 3.30852 3.29761 3.28288 3.26324 3.23721 3.20272 3.15676 3.09486 3.01001 2.8906 2.71584 2.44529 1.99168 1.13286 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 3.3189729570520324e-19 3.493097512200576e-19 3.694523156967552e-19 3.8988166978857606e-19 4.085278013014464e-19 4.250542531449984e-19 4.397542236408384e-19 4.52959363349472e-19 4.648699443484992e-19 4.755869037650304e-19 4.851647156041729e-19 4.936498429879296e-19 5.010983620980288e-19 5.075711556460609e-19 5.131403215799616e-19 5.178747534944256e-19 5.21844947160768e-19 5.251149896438208e-19 5.277505701850369e-19 5.298061627895232e-19 5.313346392857664e-19 5.3238086061914885e-19 5.329832790285696e-19 5.331787445763073e-19 5.330858183323008e-19 5.327814047743488e-19 5.322206429570688e-19 5.31345854522112e-19 5.300833393449216e-19 5.283353646516288e-19 5.259753584891905e-19 5.228286836059392e-19 5.186582178619969e-19 5.131323106968576e-19 5.057687069476608e-19 4.958512336649089e-19 4.822567650374208e-19 4.63125174008448e-19 4.351255353833473e-19 3.9177864690760324e-19 3.191023132114944e-19 1.8150418066394882e-19 ] } }