{ "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" [ "In" "In" "In" "In" "In" "In" "In" "In" ] } "a" { "source-value" [ 9.49296 8.856897 8.46269 8.176278 7.951193 7.765748 7.60805 7.470866 7.349468 7.240595 7.141903 7.051649 6.968504 6.891429 6.819597 6.75234 6.689111 6.629454 6.572987 6.519386 6.468375 6.419713 6.373195 6.32864 6.298308 6.266384 6.232693 6.197028 6.159142 6.11874 6.075465 6.028876 5.978423 5.923407 5.862921 5.795753 5.720244 5.634023 5.533541 5.413127 5.262866 5.06291 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 9.49296e-10 8.856897000000001e-10 8.46269e-10 8.176278e-10 7.951193e-10 7.765748e-10 7.60805e-10 7.470866e-10 7.349468e-10 7.240595e-10 7.141903000000001e-10 7.051649000000001e-10 6.968504000000001e-10 6.891429e-10 6.819597e-10 6.752340000000001e-10 6.689111e-10 6.629454000000001e-10 6.572987000000001e-10 6.519386e-10 6.468375e-10 6.419713e-10 6.373195e-10 6.328640000000001e-10 6.298307999999999e-10 6.266384e-10 6.232693e-10 6.197028000000001e-10 6.159142e-10 6.11874e-10 6.075465000000001e-10 6.028876e-10 5.978423000000001e-10 5.923407000000001e-10 5.862921e-10 5.795753e-10 5.720244e-10 5.634023e-10 5.533541e-10 5.413127e-10 5.262866e-10 5.06291e-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" [ 1.06201 1.26522 1.40962 1.52681 1.62614 1.71201 1.78707 1.85308 1.91134 1.96283 2.00834 2.04849 2.08379 2.1147 2.14157 2.16472 2.18443 2.20094 2.21447 2.2252 2.2333 2.23893 2.24221 2.24328 2.24276 2.24106 2.23792 2.23299 2.22584 2.21593 2.20251 2.1846 2.16086 2.12944 2.08766 2.03158 1.95514 1.8486 1.69526 1.46409 1.09042 0.413987 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.7015276070743396e-19 2.0271059208694798e-19 2.25846022681908e-19 2.4462193065575396e-19 2.60536351161276e-19 2.74294241917434e-19 2.86320179732238e-19 2.9689614769327197e-19 3.06230428762956e-19 3.1448003625142197e-19 3.2177154211275596e-19 3.28204281298266e-19 3.3385996481628598e-19 3.3881229279198e-19 3.43117341407538e-19 3.46826380315248e-19 3.4998427046086196e-19 3.52629464083596e-19 3.5479720906939796e-19 3.5651634459767997e-19 3.5781410767121997e-19 3.5871613311616195e-19 3.59241647052114e-19 3.5941307995195196e-19 3.59329766766984e-19 3.5905739673920396e-19 3.58554313276128e-19 3.57764440195566e-19 3.5661888390225595e-19 3.55031126857962e-19 3.52881005815134e-19 3.5001150746364e-19 3.4620794013452397e-19 3.41173901150496e-19 3.34480007173644e-19 3.2549500061017198e-19 3.1324796241987597e-19 2.9617837256124e-19 2.71610596055484e-19 2.3457307880730595e-19 1.7470454452462797e-19 6.632802981797579e-20 ] } }