{ "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" [ "Nb" "Nb" "Nb" "Nb" ] } "a" { "source-value" [ 6.76629 6.312924 6.031945 5.827799 5.667366 5.535186 5.422784 5.325003 5.238475 5.160874 5.090529 5.026199 4.966935 4.911998 4.860799 4.812861 4.767793 4.725271 4.685023 4.646818 4.610459 4.575774 4.542618 4.51086 4.48924 4.466486 4.442472 4.417051 4.390047 4.36125 4.330405 4.297198 4.261237 4.222024 4.178911 4.131036 4.077216 4.01576 3.94414 3.858313 3.751212 3.60869 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 6.76629e-10 6.312924e-10 6.031945e-10 5.827799e-10 5.667366000000001e-10 5.535186e-10 5.422784e-10 5.325003e-10 5.238475e-10 5.160874e-10 5.090529e-10 5.026199e-10 4.966935e-10 4.911998e-10 4.860799e-10 4.812861e-10 4.767793000000001e-10 4.725271e-10 4.685023e-10 4.646818e-10 4.6104589999999996e-10 4.5757740000000004e-10 4.542618e-10 4.51086e-10 4.4892399999999997e-10 4.4664859999999997e-10 4.442472000000001e-10 4.417051e-10 4.3900470000000003e-10 4.3612500000000003e-10 4.330405e-10 4.297198e-10 4.2612370000000007e-10 4.2220240000000004e-10 4.1789110000000003e-10 4.131036e-10 4.077216e-10 4.0157600000000004e-10 3.94414e-10 3.858313e-10 3.751212e-10 3.60869e-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" [ 7.13498 10.6611 13.7814 16.6369 19.2898 21.7717 24.1112 26.3127 28.3809 30.3246 32.1422 33.8338 35.4006 36.8438 38.1591 39.3449 40.3998 41.3242 42.1127 42.7627 43.2715 43.6384 43.8645 43.9405 43.9022 43.7733 43.528 43.132 42.5396 41.6882 40.4915 38.8274 36.5207 33.3137 28.7995 22.3365 12.8533 -1.56135 -24.5612 -63.9684 -139.113 -310.23 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.1431498145875584e-18 1.708096517201088e-18 2.208023688189312e-18 2.6655252222587523e-18 3.0905666579907842e-18 3.488210873507136e-18 3.8630400939432965e-18 4.215759277012416e-18 4.5471214457262724e-18 4.8585365155111685e-18 5.149748138107777e-18 5.420772335282304e-18 5.671801368229248e-18 5.9030274981431044e-18 6.113761789076929e-18 6.303747892771393e-18 6.472761504499584e-18 6.620866711326336e-18 6.747198337876416e-18 6.8513398182284165e-18 6.932858564694721e-18 6.991642424911872e-18 7.02786763830816e-18 7.04004418062624e-18 7.033907844168577e-18 7.013255787526464e-18 6.97395439501824e-18 6.91050820083456e-18 6.815595257818369e-18 6.6791859403234565e-18 6.487453464112321e-18 6.220835252644992e-18 5.851261171525056e-18 5.337443129234496e-18 4.61418855907296e-18 3.578701809049921e-18 2.0593256760128644e-18 -2.50155846688608e-19 -3.9351380418792965e-18 -1.0248867494998273e-17 -2.228835962493504e-17 -4.970432530707841e-17 ] } }