{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "fcc" ] } "species" { "source-value" [ "Fe" "Fe" "Fe" "Fe" ] } "a" { "source-value" [ 5.44198 5.077348 4.851363 4.687174 4.558141 4.451832 4.361429 4.282787 4.213194 4.150781 4.094204 4.042465 3.994801 3.950616 3.909438 3.870882 3.834635 3.800436 3.768066 3.737338 3.708095 3.680199 3.653532 3.62799 3.610601 3.592301 3.572987 3.552541 3.530822 3.507661 3.482853 3.456145 3.427223 3.395684 3.361009 3.322504 3.279217 3.22979 3.172187 3.103157 3.017018 2.90239 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 5.44198e-10 5.077348e-10 4.851363e-10 4.687174e-10 4.558141e-10 4.451832e-10 4.3614290000000005e-10 4.282787e-10 4.2131939999999996e-10 4.1507810000000004e-10 4.0942040000000004e-10 4.042465e-10 3.994801e-10 3.950616e-10 3.909438e-10 3.870882e-10 3.834635e-10 3.800436e-10 3.768066e-10 3.737338e-10 3.7080950000000003e-10 3.680199e-10 3.6535319999999997e-10 3.62799e-10 3.610601e-10 3.592301e-10 3.572987e-10 3.5525410000000005e-10 3.530822e-10 3.507661e-10 3.482853e-10 3.456145e-10 3.4272230000000004e-10 3.395684e-10 3.3610090000000004e-10 3.322504e-10 3.279217e-10 3.22979e-10 3.172187e-10 3.103157e-10 3.017018e-10 2.90239e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0 ] ] } "cohesive-potential-energy" { "source-value" [ 0.0420286 0.283869 0.74071 1.29642 1.8683 2.41434 2.91834 3.27486 3.46758 3.63346 3.77306 3.88972 3.98646 4.06593 4.13081 4.18479 4.22821 4.2626 4.28925 4.30928 4.32363 4.3331 4.33837 4.34002 4.33927 4.33685 4.33252 4.32595 4.31677 4.30446 4.28838 4.26769 4.24121 4.20729 4.16355 4.10631 4.02977 3.9241 3.77931 3.5808 3.28565 2.83019 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 6.7337240324954886e-21 4.548082751698752e-20 1.186748244792768e-19 2.0770938147375359e-19 2.9933465806406404e-19 3.8681991026622727e-19 4.675696119545472e-19 5.246904128393088e-19 5.555675606753665e-19 5.821444664611968e-19 6.045108520875649e-19 6.232018445458177e-19 6.387013011754368e-19 6.514337987809345e-19 6.618287206966849e-19 6.704772700957631e-19 6.774339209832768e-19 6.829438063822081e-19 6.8721360707664e-19 6.904227668481024e-19 6.927218902989504e-19 6.94239151558848e-19 6.950834986380097e-19 6.953478577804416e-19 6.952276945338817e-19 6.948399677916481e-19 6.941462253148416e-19 6.93093595274976e-19 6.916227971370817e-19 6.896505177168768e-19 6.870742177106304e-19 6.837593142821952e-19 6.795167505903168e-19 6.740821674925633e-19 6.67074246953184e-19 6.5790338797572475e-19 6.456403281201217e-19 6.287101277681281e-19 6.055122124755649e-19 5.737074043760641e-19 5.26419161413152e-19 4.534464250421952e-19 ] } }