{ "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" [ "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" ] } "a" { "source-value" [ 8.36557 7.805047 7.457657 7.205259 7.006905 6.843484 6.704515 6.583623 6.476643 6.3807 6.293729 6.214194 6.140923 6.073001 6.0097 5.950431 5.894711 5.842139 5.792378 5.745143 5.70019 5.657307 5.616314 5.57705 5.55032 5.522188 5.492498 5.461068 5.427681 5.392078 5.353942 5.312886 5.268425 5.219943 5.16664 5.10745 5.040908 4.964927 4.876378 4.770265 4.637849 4.46164 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.36557e-10 7.805047e-10 7.457657000000001e-10 7.205259e-10 7.006905e-10 6.843484e-10 6.704515e-10 6.583623e-10 6.476643e-10 6.3807e-10 6.293729000000001e-10 6.214194e-10 6.140923e-10 6.073001e-10 6.009699999999999e-10 5.950431e-10 5.894711000000001e-10 5.842139000000001e-10 5.792378000000001e-10 5.745142999999999e-10 5.700190000000001e-10 5.657307000000001e-10 5.616314e-10 5.57705e-10 5.55032e-10 5.522188e-10 5.492498000000001e-10 5.461068e-10 5.427681e-10 5.392078e-10 5.353942e-10 5.312886e-10 5.268425e-10 5.219943e-10 5.16664e-10 5.10745e-10 5.040908e-10 4.964927e-10 4.876378e-10 4.770265000000001e-10 4.6378490000000004e-10 4.46164e-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" [ 0.827819 1.0426 1.19294 1.31025 1.40671 1.48836 1.55872 1.62004 1.67383 1.72121 1.76299 1.79984 1.83225 1.86064 1.88537 1.90673 1.92495 1.94024 1.95279 1.96278 1.97034 1.97561 1.97869 1.9797 1.97921 1.9776 1.97462 1.96994 1.96313 1.95365 1.94079 1.92355 1.90062 1.87013 1.82937 1.77434 1.69883 1.59273 1.43858 1.20344 0.817647 0.104969 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.326312258981246e-19 1.6704293586083998e-19 1.9113005937639597e-19 2.0992519346984996e-19 2.25379789281414e-19 2.38461561498024e-19 2.49734476294848e-19 2.59559023414536e-19 2.6817713152882195e-19 2.75768244420714e-19 2.8246213839756597e-19 2.88366159293856e-19 2.9355881376464996e-19 2.98107393228576e-19 3.02069576044458e-19 3.05491825334682e-19 3.0841099116182997e-19 3.10860719235216e-19 3.1287145091088597e-19 3.1447202536825196e-19 3.15683270903556e-19 3.16527617989674e-19 3.1702108839294597e-19 3.1718290823298e-19 3.1710440157791394e-19 3.1684645113984e-19 3.16369002502908e-19 3.15619183838196e-19 3.14528101550442e-19 3.1300923810141e-19 3.10948838950086e-19 3.0818668643307e-19 3.04512895411308e-19 2.99627858854242e-19 2.93097386894058e-19 2.8428060887715597e-19 2.72182573113822e-19 2.5518347902708196e-19 2.3048592621397197e-19 1.92812344842096e-19 1.310014918260198e-19 1.68178879094346e-20 ] } }