{ "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" [ 4.22217 3.939269 3.763938 3.636551 3.53644 3.45396 3.383821 3.322806 3.268812 3.220389 3.176494 3.136352 3.099371 3.065091 3.033142 3.003229 2.975106 2.948573 2.923458 2.899618 2.87693 2.855287 2.834597 2.81478 2.801289 2.78709 2.772106 2.756243 2.739392 2.721423 2.702175 2.681454 2.659014 2.634544 2.607642 2.577767 2.544183 2.505834 2.461143 2.407586 2.340755 2.25182 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 4.2221700000000004e-10 3.939269e-10 3.763938e-10 3.636551e-10 3.53644e-10 3.45396e-10 3.383821e-10 3.322806e-10 3.2688120000000003e-10 3.220389e-10 3.176494e-10 3.1363520000000004e-10 3.099371e-10 3.065091e-10 3.033142e-10 3.0032290000000005e-10 2.9751059999999997e-10 2.948573e-10 2.9234580000000003e-10 2.899618e-10 2.8769300000000004e-10 2.8552870000000005e-10 2.8345970000000003e-10 2.81478e-10 2.801289e-10 2.78709e-10 2.772106e-10 2.756243e-10 2.739392e-10 2.721423e-10 2.702175e-10 2.6814540000000003e-10 2.659014e-10 2.634544e-10 2.607642e-10 2.5777670000000005e-10 2.544183e-10 2.5058340000000003e-10 2.461143e-10 2.4075859999999997e-10 2.3407550000000005e-10 2.25182e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ 0.289937 1.00142 1.57451 2.02005 2.38082 2.67107 2.90262 3.0877 3.24095 3.3722 3.48679 3.58745 3.67574 3.75267 3.82076 3.88208 3.93804 3.98883 4.03281 4.06816 4.09384 4.11051 4.11964 4.12245 4.12119 4.11718 4.11006 4.09916 4.08269 4.05799 4.02134 3.96759 3.88981 3.77931 3.62835 3.42885 3.16956 2.83319 2.37497 1.70051 0.578771 -2.27304 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 4.645302829048896e-20 1.604451711601536e-19 2.5226431112158083e-19 3.23647688284704e-19 3.8144941423330563e-19 4.279525906520256e-19 4.650509903066496e-19 4.94704075204416e-19 5.19257431918176e-19 5.40286000066176e-19 5.586453419639232e-19 5.747728518288961e-19 5.889184692139392e-19 6.012440139577537e-19 6.121532345687808e-19 6.219777816075265e-19 6.309435619775232e-19 6.390810170345664e-19 6.461273898128448e-19 6.517910841673728e-19 6.559054737295873e-19 6.585763021564608e-19 6.600390894112513e-19 6.60489301041696e-19 6.602874267874753e-19 6.596449539625345e-19 6.585042042085248e-19 6.567578316918529e-19 6.541190467973953e-19 6.501616705440193e-19 6.442896932287873e-19 6.356779938919872e-19 6.232162641354049e-19 6.055122124755649e-19 5.813257542079681e-19 5.49362330623008e-19 5.078194930222849e-19 4.539270780284353e-19 3.8051214091013758e-19 2.724517365436608e-19 9.272933649970369e-20 -3.641811546143232e-19 ] } }