{ "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" [ "Am" "Am" "Am" "Am" "Am" "Am" "Am" "Am" ] } "a" { "source-value" [ 12.0082 11.203611 10.704959 10.342661 10.05794 9.823361 9.623881 9.45035 9.296787 9.159069 9.034228 8.920062 8.814887 8.71739 8.626526 8.54145 8.461469 8.386006 8.314578 8.246775 8.182248 8.120693 8.06185 8.00549 7.948512 7.889795 7.829231 7.766699 7.702068 7.63519 7.565906 7.494034 7.419374 7.341701 7.260762 7.176269 7.087897 6.995271 6.897962 6.795471 6.687214 6.572505 6.450524 6.320286 6.180594 6.029965 5.866541 5.687944 5.491065 5.271732 5.024155 4.739968 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 1.20082e-09 1.1203611e-09 1.0704959000000001e-09 1.0342661e-09 1.0057940000000001e-09 9.823361000000001e-10 9.623881e-10 9.450350000000001e-10 9.296787e-10 9.159069e-10 9.034228000000001e-10 8.920062e-10 8.814887000000001e-10 8.71739e-10 8.626526e-10 8.54145e-10 8.461469e-10 8.386006000000001e-10 8.314578e-10 8.246775e-10 8.182248e-10 8.120693e-10 8.06185e-10 8.00549e-10 7.948512000000001e-10 7.889795e-10 7.829231000000001e-10 7.766699e-10 7.702068e-10 7.63519e-10 7.565906000000001e-10 7.494034000000001e-10 7.419374e-10 7.341701e-10 7.260762e-10 7.176269e-10 7.087897e-10 6.995271e-10 6.897962e-10 6.795471e-10 6.687214e-10 6.572505e-10 6.450524e-10 6.320286e-10 6.180594e-10 6.029965e-10 5.866541e-10 5.687944e-10 5.491065e-10 5.271732e-10 5.024155e-10 4.739968e-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" [ 0.193592 0.290183 0.375074 0.452878 0.525603 0.593728 0.657995 0.718406 0.775152 0.828346 0.878108 0.924533 0.967496 1.00698 1.0431 1.0758 1.10489 1.13031 1.152 1.16989 1.18389 1.19394 1.20013 1.20222 1.19986 1.19197 1.1771 1.1535 1.11873 1.06975 1.00266 0.91235 0.792121 0.633147 0.423427 0.146756 -0.218894 -0.704934 -1.35551 -2.23387 -3.434 -5.09713 -7.44295 -10.8209 -15.8076 -23.3948 -35.3693 -55.145 -89.7104 -154.672 -288.97 -605.103 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 3.1016857892932795e-20 4.64924422184022e-20 6.00934798820916e-20 7.25590549652652e-20 8.42108845360302e-20 9.51257128551552e-20 1.05422421428883e-19 1.1510133069254038e-19 1.2419304221983678e-19 1.327156606067364e-19 1.406884119728472e-19 1.481265169961922e-19 1.550099484688464e-19 1.61335982690532e-19 1.6712304469253997e-19 1.7236216228572e-19 1.7702289411402598e-19 1.8109562711765397e-19 1.8457074823679998e-19 1.8743704223502601e-19 1.89680089522626e-19 1.91290277039796e-19 1.9228202437624198e-19 1.92616879292748e-19 1.9223876560712397e-19 1.9097464824289797e-19 1.8859221158813998e-19 1.8481107473189997e-19 1.7924030657548198e-19 1.7139284542214997e-19 1.6064384238464402e-19 1.4617458520298998e-19 1.2691177575007138e-19 1.014413329287198e-19 6.78404845604718e-20 2.3512903409930397e-20 -3.50706852122796e-20 -1.1294287833121557e-19 -2.17176644915334e-19 -3.57905431739358e-19 -5.501874561156e-19 -8.166502586460419e-19 -1.1924920578030299e-18 -1.7336993138850598e-18 -2.53265673596184e-18 -3.74826019171032e-18 -5.66678660209362e-18 -8.835203048193e-18 -1.437319067067936e-17 -2.4781186433404797e-17 -4.6298098192698e-17 -9.694818877633019e-17 ] } }