{ "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" [ "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" ] } "a" { "source-value" [ 9.30411 8.6807 8.294336 8.013621 7.793014 7.611258 7.456697 7.322243 7.20326 7.096553 6.999824 6.911366 6.829875 6.754333 6.68393 6.618012 6.55604 6.49757 6.442226 6.389692 6.339695 6.292002 6.246409 6.20274 6.158593 6.113098 6.066173 6.017722 5.967645 5.915828 5.862146 5.806459 5.748612 5.68843 5.625717 5.560252 5.49178 5.420013 5.344617 5.265206 5.181327 5.092449 4.997937 4.897028 4.788793 4.672084 4.545461 4.407082 4.254539 4.084598 3.892772 3.672581 3.414156 3.10137 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 9.30411e-10 8.6807e-10 8.294336e-10 8.013621000000001e-10 7.793014e-10 7.611258e-10 7.456697000000001e-10 7.322243e-10 7.20326e-10 7.096553000000001e-10 6.999824e-10 6.911366e-10 6.829875000000001e-10 6.754333e-10 6.68393e-10 6.618012e-10 6.55604e-10 6.49757e-10 6.442226e-10 6.389692000000001e-10 6.339695e-10 6.292002e-10 6.246409e-10 6.202740000000001e-10 6.158593e-10 6.113098e-10 6.066173e-10 6.017722000000001e-10 5.967645e-10 5.915828e-10 5.862146e-10 5.806459000000001e-10 5.748612e-10 5.688430000000001e-10 5.625717e-10 5.560252e-10 5.49178e-10 5.420013e-10 5.344617000000001e-10 5.265206e-10 5.181327e-10 5.092449e-10 4.997937e-10 4.897028e-10 4.788793e-10 4.672084e-10 4.5454610000000005e-10 4.407082e-10 4.2545390000000007e-10 4.084598e-10 3.892772e-10 3.6725810000000005e-10 3.4141560000000004e-10 3.1013700000000005e-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" [ 1.22263 1.48095 1.65825 1.79316 1.90106 1.98991 2.06445 2.12778 2.18201 2.2287 2.269 2.30383 2.33388 2.35973 2.38186 2.40064 2.41643 2.42948 2.44005 2.44834 2.45453 2.45879 2.46126 2.46205 2.46121 2.4585 2.45363 2.44627 2.43597 2.42228 2.40464 2.3824 2.35474 2.32068 2.27904 2.22836 2.16688 2.09239 2.00214 1.89263 1.75941 1.59612 1.39429 1.14806 0.842191 0.457172 -0.0335762 -0.668669 -1.50607 -2.63623 -4.20708 -6.47533 -9.92213 -15.5481 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.95886921802742e-19 2.3727434861223e-19 2.6568094033305e-19 2.87295905302344e-19 3.0458339118320397e-19 3.18818730576294e-19 3.3076135520612994e-19 3.4090793982925196e-19 3.49596543715434e-19 3.5707710641957994e-19 3.635338782546e-19 3.69114259470822e-19 3.73928800255992e-19 3.7807042685488197e-19 3.81616043745924e-19 3.84624931464576e-19 3.87154768369662e-19 3.8924560887703196e-19 3.9093910957916993e-19 3.92267314008756e-19 3.9325906134520197e-19 3.93941588591286e-19 3.9433732621988396e-19 3.9446389817397e-19 3.9432931533671395e-19 3.9389512546889995e-19 3.9311486544814197e-19 3.91935663445518e-19 3.90285421512498e-19 3.88092041700552e-19 3.85265802118176e-19 3.8170256128416e-19 3.77270940714516e-19 3.7181392709911197e-19 3.65142463595136e-19 3.57022632414024e-19 3.47172450468192e-19 3.3523783672152597e-19 3.2077819259967594e-19 3.03232756280742e-19 2.8188855916259396e-19 2.5572661690600797e-19 2.23389885901986e-19 1.83939490643004e-19 1.349338741565094e-19 7.32470296119048e-20 -5.37950030985108e-21 -1.0713258476801458e-19 -2.41299016316838e-19 -4.2237061078498197e-19 -6.74048527336872e-19 -1.037462242343922e-18 -1.5897004845510417e-18 -2.49108025230954e-18 ] } }