{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "diamond" ] } "species" { "source-value" [ "Y" "Y" "Y" "Y" "Y" "Y" "Y" "Y" ] } "a" { "source-value" [ 11.8637 11.068792 10.576139 10.218201 9.936905 9.705149 9.508068 9.336625 9.184911 9.048849 8.92551 8.812718 8.708808 8.612485 8.522714 8.438662 8.359642 8.285087 8.214519 8.147532 8.083781 8.022967 7.964832 7.90915 7.852857 7.794848 7.735012 7.673233 7.60938 7.543307 7.474857 7.40385 7.330089 7.253351 7.173386 7.08991 7.002602 6.911091 6.814953 6.713696 6.606742 6.493413 6.3729 6.244231 6.10622 5.957404 5.795947 5.619499 5.424991 5.208298 4.9637 4.682934 4.353415 3.95458 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 1.1863700000000001e-09 1.1068792e-09 1.0576139e-09 1.0218201000000001e-09 9.936905e-10 9.705149000000001e-10 9.508068e-10 9.336625e-10 9.184911e-10 9.048849000000001e-10 8.92551e-10 8.812718000000001e-10 8.708807999999999e-10 8.612484999999999e-10 8.522714000000001e-10 8.438662000000001e-10 8.359642e-10 8.285087000000001e-10 8.214519e-10 8.147532e-10 8.083781000000001e-10 8.022967e-10 7.964832000000001e-10 7.909150000000001e-10 7.852857000000001e-10 7.794848000000001e-10 7.735012e-10 7.673233e-10 7.60938e-10 7.543307e-10 7.474857e-10 7.40385e-10 7.330089e-10 7.253351000000001e-10 7.173386e-10 7.08991e-10 7.002602000000001e-10 6.911091e-10 6.814953e-10 6.713696e-10 6.606741999999999e-10 6.493413000000001e-10 6.3729e-10 6.244231000000001e-10 6.10622e-10 5.957404000000001e-10 5.795947e-10 5.619499000000001e-10 5.424991000000001e-10 5.208298e-10 4.9637e-10 4.682934000000001e-10 4.3534150000000003e-10 3.9545800000000003e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0.5 0 ] [ 0.5 0 0.5 ] [ 0.75 0.25 0.75 ] [ 0.25 0.25 0.25 ] [ 0.25 0.75 0.75 ] [ 0.75 0.75 0.25 ] ] } "cohesive-potential-energy" { "source-value" [ 1.11516 1.37759 1.55761 1.69378 1.80182 1.88995 1.96311 2.0245 2.07638 2.12037 2.15771 2.18935 2.21604 2.23841 2.25696 2.30794 2.34371 2.35717 2.36803 2.37653 2.38288 2.38723 2.38975 2.39056 2.3897 2.38695 2.38202 2.37458 2.36423 2.3505 2.33285 2.31062 2.28304 2.24918 2.27732 2.24102 2.18696 2.12088 2.04022 1.94178 1.82145 1.67392 1.49222 1.26705 0.98577 0.630893 0.17751 -0.410745 -1.18882 -2.24314 -3.71649 -5.85956 -9.14894 -14.5929 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.7866832951714398e-19 2.20714250923206e-19 2.4955663468847397e-19 2.71373473913652e-19 2.88683390267388e-19 3.0280337294283e-19 3.1452489719717397e-19 3.243606595533e-19 3.32672751930492e-19 3.3972072694345796e-19 3.4570325449481395e-19 3.5077254136479e-19 3.55048750800936e-19 3.58632819931194e-19 3.6160485758726393e-19 3.6977275406739597e-19 3.75503739887214e-19 3.7766026963657797e-19 3.79400233461102e-19 3.8076208360000194e-19 3.81779465762592e-19 3.82476412598382e-19 3.8288016111014995e-19 3.8300993741750396e-19 3.8287215022698e-19 3.8243155165263e-19 3.8164167857206793e-19 3.8044965915637195e-19 3.7879140634018197e-19 3.7659161782169994e-19 3.7376377606269e-19 3.70202137405308e-19 3.65783334248736e-19 3.6035836416601195e-19 3.64866889214088e-19 3.5905098803266794e-19 3.50389621149264e-19 3.39802437951792e-19 3.26879281221948e-19 3.1110745443685197e-19 2.9182846299993e-19 2.68191551118528e-19 2.39080001678748e-19 2.0300379041096998e-19 1.57937766049818e-19 1.0108020231541619e-19 2.8440237430134e-20 -6.5808604153233e-20 -1.90469962603188e-19 -3.5939064947907596e-19 -5.95447343849466e-19 -9.388050117521039e-19 -1.4658217893867959e-18 -2.33804034022986e-18 ] } }