{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "fcc" ] } "species" { "source-value" [ "Fe" "Fe" "Fe" "Fe" ] } "a" { "source-value" [ 5.44953 5.084391 4.858093 4.693675 4.564463 4.458006 4.367478 4.288726 4.219037 4.156537 4.099882 4.048071 4.00034 3.956095 3.914859 3.87625 3.839952 3.805706 3.77329 3.74252 3.713236 3.685302 3.658597 3.63302 3.615608 3.597282 3.577941 3.557467 3.535718 3.512526 3.487683 3.460939 3.431976 3.400394 3.365671 3.327113 3.283766 3.234271 3.176589 3.107464 3.021206 2.90642 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 5.44953e-10 5.084391000000001e-10 4.858093000000001e-10 4.693675e-10 4.564463e-10 4.4580060000000004e-10 4.3674780000000004e-10 4.288726e-10 4.2190370000000005e-10 4.1565370000000005e-10 4.099882e-10 4.0480710000000003e-10 4.00034e-10 3.956095e-10 3.914859e-10 3.8762500000000004e-10 3.839952e-10 3.805706e-10 3.7732899999999997e-10 3.74252e-10 3.7132360000000003e-10 3.6853020000000003e-10 3.658597e-10 3.6330200000000004e-10 3.615608e-10 3.597282e-10 3.5779410000000003e-10 3.557467e-10 3.535718e-10 3.512526e-10 3.487683e-10 3.4609390000000004e-10 3.431976e-10 3.400394e-10 3.365671e-10 3.3271130000000003e-10 3.283766e-10 3.2342710000000005e-10 3.176589e-10 3.107464e-10 3.0212059999999997e-10 2.90642e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0 ] ] } "cohesive-potential-energy" { "source-value" [ 0.927181 1.40722 1.8221 2.1756 2.46866 2.71921 2.9476 3.16883 3.37465 3.54443 3.6726 3.77159 3.8565 3.93509 4.00813 4.07357 4.12952 4.17526 4.21113 4.2381 4.2574 4.27028 4.27778 4.28024 4.27903 4.27501 4.26744 4.25529 4.23716 4.2112 4.17503 4.12534 4.05739 3.96437 3.8364 3.65902 3.41076 3.05872 2.54903 1.78217 0.535062 -1.8676 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.485507733688754e-19 2.2546150028974797e-19 2.9193260448114e-19 3.4856954849304003e-19 3.9552293692904397e-19 4.35665472493914e-19 4.7225758463784e-19 5.077025383118219e-19 5.406785377928099e-19 5.67880292684862e-19 5.8841539060284e-19 6.04275337102806e-19 6.178794189021e-19 6.30470925068706e-19 6.42173223203442e-19 6.526578670963379e-19 6.61622045363568e-19 6.689504012874839e-19 6.746974088736419e-19 6.7901847925554e-19 6.821106801591599e-19 6.841742836637519e-19 6.85375916139252e-19 6.85770051591216e-19 6.855761882185019e-19 6.84932113211634e-19 6.837192654996959e-19 6.817726208893859e-19 6.78867874651944e-19 6.7470862411008e-19 6.689135512249019e-19 6.609523355305559e-19 6.500655453025259e-19 6.35162098253058e-19 6.146590438677599e-19 5.86239634733868e-19 5.464639976181839e-19 4.900609713948479e-19 4.08399630536502e-19 2.8553511318157797e-19 8.57263834141308e-20 -2.9922250816584e-19 ] } }