{ "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" [ 8.28019 7.725387 7.381543 7.131721 6.935392 6.773639 6.636088 6.51643 6.410541 6.315578 6.229494 6.150771 6.078248 6.011019 5.948364 5.8897 5.834549 5.782514 5.733261 5.686508 5.642013 5.599568 5.558993 5.52013 5.480841 5.440353 5.398592 5.355473 5.310907 5.264792 5.217017 5.167459 5.115978 5.062419 5.006608 4.948346 4.88741 4.82354 4.756442 4.685769 4.611122 4.532024 4.447913 4.358109 4.261785 4.15792 4.045232 3.922081 3.786325 3.635085 3.46437 3.268411 3.038425 2.76006 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.28019e-10 7.725387e-10 7.381543e-10 7.131721e-10 6.935392e-10 6.773639e-10 6.636088e-10 6.51643e-10 6.410541e-10 6.315578000000001e-10 6.229494e-10 6.150771e-10 6.078248000000001e-10 6.011019e-10 5.948364e-10 5.889700000000001e-10 5.834549e-10 5.782514e-10 5.733261e-10 5.686508e-10 5.642013000000001e-10 5.599568e-10 5.558993e-10 5.520130000000001e-10 5.480841e-10 5.440353000000001e-10 5.398592e-10 5.355473e-10 5.310907000000001e-10 5.264792e-10 5.217017e-10 5.167459e-10 5.115978e-10 5.062419000000001e-10 5.006608000000001e-10 4.948346000000001e-10 4.88741e-10 4.82354e-10 4.756442e-10 4.685769e-10 4.611122e-10 4.532024e-10 4.4479129999999997e-10 4.358109e-10 4.261785e-10 4.15792e-10 4.0452320000000005e-10 3.922081e-10 3.7863250000000004e-10 3.635085e-10 3.46437e-10 3.268411e-10 3.0384250000000003e-10 2.7600600000000003e-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" [ 0.857022 1.07378 1.22476 1.37009 1.50186 1.60642 1.69137 1.76607 1.83261 1.89164 1.9435 1.98841 2.02648 2.05776 2.08237 2.10071 2.11355 2.12208 2.12782 2.13194 2.13498 2.13713 2.13842 2.13886 2.13837 2.13681 2.13401 2.12984 2.12409 2.11653 2.10686 2.09485 2.08035 2.06349 2.0445 2.02343 1.99954 1.97108 1.93714 1.89709 1.84464 1.75882 1.59262 1.28004 0.712586 -0.32802 -2.06481 -4.74358 -8.94042 -15.6594 -26.8328 -47.4748 -94.8253 -264.387 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.373100623223948e-19 1.72038522605652e-19 1.96228185425784e-19 2.19512618447706e-19 2.40624499953924e-19 2.57376858839028e-19 2.70987349344858e-19 2.82955608800838e-19 2.93616492123474e-19 3.0307414079397597e-19 3.113830288179e-19 3.18578404081194e-19 3.2467789052683196e-19 3.2968949903798397e-19 3.33632455734258e-19 3.3657084768101396e-19 3.3862804247907e-19 3.39994699147872e-19 3.4091434853578793e-19 3.41574445308996e-19 3.42061507005732e-19 3.4240597498204196e-19 3.42612655767828e-19 3.42683151539724e-19 3.42604644884658e-19 3.42354705329754e-19 3.4190609587223396e-19 3.41237988215856e-19 3.4031673665130593e-19 3.39105491116002e-19 3.37556186310924e-19 3.3563197217349e-19 3.3330881605419e-19 3.3060754624926594e-19 3.275650128213e-19 3.2418922665346196e-19 3.20361626674836e-19 3.1580183197447196e-19 3.1036404447867597e-19 3.03947327059506e-19 2.95543910614176e-19 2.81794030741188e-19 2.55165855084108e-19 2.05085017858536e-19 1.141688638915524e-19 -5.255459794846799e-20 -3.30819033564954e-19 -7.600053037509719e-19 -1.4324132022146279e-18 -2.5089124782459598e-18 -4.29908851847952e-18 -7.60630152638232e-18 -1.519268799720402e-17 -4.23594673733358e-17 ] } }