{ "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" [ 8.28021 7.725405 7.38156 7.131737 6.935407 6.773653 6.636102 6.516443 6.410555 6.315591 6.229507 6.150783 6.07826 6.011031 5.948376 5.889712 5.83456 5.782525 5.733271 5.686518 5.642023 5.599579 5.559003 5.52014 5.480851 5.440363 5.398602 5.355483 5.310917 5.264802 5.217027 5.167469 5.115988 5.062429 5.006618 4.948356 4.88742 4.82355 4.756452 4.685779 4.611132 4.532034 4.447923 4.358119 4.261795 4.15793 4.045242 3.922091 3.786335 3.635095 3.46438 3.268421 3.038435 2.76007 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.28021e-10 7.725405000000001e-10 7.38156e-10 7.131737000000001e-10 6.935407e-10 6.773653000000001e-10 6.636102e-10 6.516443e-10 6.410555e-10 6.315591000000001e-10 6.229507e-10 6.150783e-10 6.07826e-10 6.011031e-10 5.948375999999999e-10 5.889712000000001e-10 5.83456e-10 5.782525e-10 5.733271e-10 5.686518000000001e-10 5.642023e-10 5.599579000000001e-10 5.559003e-10 5.52014e-10 5.480851e-10 5.440363e-10 5.398602000000001e-10 5.355483000000001e-10 5.310917e-10 5.264802000000001e-10 5.217027e-10 5.167468999999999e-10 5.115988e-10 5.062429e-10 5.006618e-10 4.948356000000001e-10 4.88742e-10 4.82355e-10 4.756452e-10 4.685779e-10 4.6111319999999996e-10 4.5320340000000005e-10 4.4479230000000003e-10 4.3581190000000006e-10 4.261795e-10 4.1579300000000004e-10 4.045242e-10 3.922091e-10 3.786335e-10 3.635095e-10 3.46438e-10 3.2684210000000003e-10 3.0384350000000004e-10 2.76007e-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" [ 0.857014 1.07378 1.22475 1.37008 1.50185 1.60641 1.69136 1.76606 1.8326 1.89164 1.94349 1.9884 2.02648 2.05776 2.08236 2.1007 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 2.10687 2.09485 2.08036 2.06349 2.0445 2.02343 1.99954 1.97108 1.93714 1.8971 1.84465 1.75883 1.59264 1.28008 0.712469 -0.32962 -2.0737 -4.78018 -9.07196 -16.1061 -28.3518 -52.9432 -117.153 -379.713 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.373087805810876e-19 1.72038522605652e-19 1.9622658324914998e-19 2.19511016271072e-19 2.4062289777729e-19 2.57375256662394e-19 2.70985747168224e-19 2.8295400662420395e-19 2.9361488994684e-19 3.0307414079397597e-19 3.11381426641266e-19 3.1857680190455996e-19 3.2467789052683196e-19 3.2968949903798397e-19 3.3363085355762396e-19 3.3656924550437997e-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 3.3755778848755796e-19 3.3563197217349e-19 3.33310418230824e-19 3.3060754624926594e-19 3.275650128213e-19 3.2418922665346196e-19 3.20361626674836e-19 3.1580183197447196e-19 3.1036404447867597e-19 3.0394892923614e-19 2.9554551279080996e-19 2.8179563291782197e-19 2.55169059437376e-19 2.05091426565072e-19 1.141501184249346e-19 -5.2810946209908e-20 -3.3224336859258e-19 -7.658692702314119e-19 -1.453488233658264e-18 -2.5804817084867402e-18 -4.54245914918412e-18 -8.48243579691888e-18 -1.87699799203002e-17 -6.08367296226042e-17 ] } }