{ "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" [ "Fe" "Fe" ] } "a" { "source-value" [ 4.305 4.016549 3.837779 3.707893 3.605818 3.52172 3.450205 3.387992 3.332939 3.283566 3.23881 3.19788 3.160174 3.125221 3.092646 3.062146 3.033472 3.006418 2.98081 2.956502 2.933369 2.911301 2.890206 2.87 2.856244 2.841767 2.826489 2.810315 2.793134 2.774812 2.755187 2.734059 2.711179 2.68623 2.658799 2.628339 2.594096 2.554996 2.509428 2.454821 2.386679 2.296 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 4.305e-10 4.0165490000000007e-10 3.837779e-10 3.707893e-10 3.605818e-10 3.5217200000000005e-10 3.450205e-10 3.387992e-10 3.332939e-10 3.283566e-10 3.2388100000000003e-10 3.19788e-10 3.160174e-10 3.1252209999999997e-10 3.092646e-10 3.062146e-10 3.0334720000000003e-10 3.006418e-10 2.9808100000000003e-10 2.956502e-10 2.933369e-10 2.911301e-10 2.8902060000000004e-10 2.8700000000000004e-10 2.856244e-10 2.8417670000000003e-10 2.826489e-10 2.810315e-10 2.793134e-10 2.774812e-10 2.755187e-10 2.734059e-10 2.711179e-10 2.68623e-10 2.6587990000000004e-10 2.628339e-10 2.594096e-10 2.554996e-10 2.5094280000000003e-10 2.454821e-10 2.386679e-10 2.296e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ 1.40842 1.91373 2.23624 2.50731 2.74586 2.9576 3.14597 3.3134 3.46147 3.59171 3.70585 3.80555 3.89237 3.96766 4.03264 4.08836 4.13576 4.17561 4.20848 4.23481 4.25489 4.26897 4.27728 4.28 4.27867 4.2743 4.26618 4.25343 4.23492 4.2092 4.17439 4.12801 4.0667 3.98586 3.87903 3.73685 3.54521 3.28154 2.9071 2.34983 1.45876 -0.143984 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 2.25653761485828e-19 3.0661334897848197e-19 3.58285147601616e-19 4.0171534961945396e-19 4.39935273223524e-19 4.7385976127184e-19 5.04039962526498e-19 5.308652059095599e-19 5.545886353291979e-19 5.75455383810414e-19 5.9374262791089e-19 6.0971632895187e-19 6.23626426488258e-19 6.356892143656439e-19 6.461001581333759e-19 6.55027486338024e-19 6.62621803583184e-19 6.69006477469674e-19 6.742728320656319e-19 6.78491363142954e-19 6.817085338240259e-19 6.83964398524698e-19 6.852958073075519e-19 6.85731599352e-19 6.855185098596779e-19 6.8481835867062e-19 6.8351739124381205e-19 6.81474616035462e-19 6.785089870859279e-19 6.7438818878328e-19 6.688110119203259e-19 6.613801166918339e-19 6.5155717174878e-19 6.38605175839524e-19 6.21489122858502e-19 5.9870937547629e-19 5.68005262462314e-19 5.257606711536359e-19 4.657687692701399e-19 3.7648427198722197e-19 2.33719118661384e-19 -2.3068780046985598e-20 ] } }