{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "bcc" ] } "species" { "source-value" [ "C" "C" ] } "a" { "source-value" [ 3.75 3.498736 3.343013 3.229872 3.140956 3.0677 3.005405 2.951213 2.903257 2.860249 2.821263 2.78561 2.752765 2.722318 2.693942 2.667374 2.642397 2.618831 2.596524 2.57535 2.555199 2.535977 2.517601 2.5 2.488018 2.475407 2.462098 2.448009 2.433043 2.417083 2.399988 2.381584 2.361654 2.339921 2.316027 2.289494 2.259666 2.225606 2.185913 2.138346 2.078989 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 3.75e-10 3.498736e-10 3.343013e-10 3.229872e-10 3.140956e-10 3.0677e-10 3.0054050000000003e-10 2.951213e-10 2.903257e-10 2.860249e-10 2.821263e-10 2.7856100000000003e-10 2.7527650000000003e-10 2.722318e-10 2.693942e-10 2.667374e-10 2.642397e-10 2.6188310000000004e-10 2.596524e-10 2.57535e-10 2.5551990000000003e-10 2.535977e-10 2.517601e-10 2.5e-10 2.488018e-10 2.475407e-10 2.462098e-10 2.448009e-10 2.433043e-10 2.417083e-10 2.3999880000000003e-10 2.3815840000000004e-10 2.361654e-10 2.339921e-10 2.3160270000000001e-10 2.289494e-10 2.2596660000000002e-10 2.2256060000000002e-10 2.1859130000000002e-10 2.138346e-10 2.078989e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ 0 0 0 0 0 0 0 0 0 2.297 2.43314 2.56188 2.68382 2.79945 2.90922 3.0135 3.11261 3.20685 3.29648 3.38172 3.46278 3.53985 3.6131 2.90269 2.92209 2.94064 2.95793 2.97344 2.98643 2.99593 3.00052 2.99825 2.98624 2.96022 2.91361 2.83591 2.70945 2.50262 2.15378 1.5276 0.26723 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 3.680199728298e-19 3.8983200552507596e-19 4.1045842751119195e-19 4.2999536938618795e-19 4.4852133780513e-19 4.66108430716548e-19 4.828159286559e-19 4.98695101275474e-19 5.1379401387429e-19 5.28154323044832e-19 5.41811276673048e-19 5.54798520468252e-19 5.671464957864899e-19 5.7888243963054e-19 4.65062209374546e-19 4.681704320445059e-19 4.71142469700576e-19 4.73912633100762e-19 4.76397609060096e-19 4.784788365076619e-19 4.80000904309962e-19 4.80736303384968e-19 4.8037260928905e-19 4.78448395151616e-19 4.74279531549948e-19 4.668117862588739e-19 4.54362873812694e-19 4.341017480991299e-19 4.0096392877810795e-19 3.4507359907765194e-19 2.4474850260984e-19 4.2814966190382e-20 ] } }