{ "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" [ "I" "I" "I" "I" "I" "I" "I" "I" ] } "a" { "source-value" [ 17.9474 16.744851 15.999559 15.458065 15.032517 14.681912 14.383767 14.124405 13.894889 13.689053 13.502465 13.33183 13.174634 13.028915 12.893109 12.765953 12.646411 12.533623 12.426866 12.325527 12.229084 12.137084 12.049137 11.9649 11.907554 11.8472 11.783504 11.716075 11.644448 11.568064 11.486249 11.398168 11.302782 11.19877 11.084414 10.957428 10.814671 10.651662 10.461692 10.234038 9.949956 9.57192 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 1.79474e-09 1.6744851000000002e-09 1.5999559e-09 1.5458065e-09 1.5032517e-09 1.4681912e-09 1.4383767000000001e-09 1.4124405e-09 1.3894889e-09 1.3689053e-09 1.3502465e-09 1.333183e-09 1.3174634e-09 1.3028915e-09 1.2893109e-09 1.2765953e-09 1.2646411e-09 1.2533623e-09 1.2426866000000001e-09 1.2325526999999999e-09 1.2229084e-09 1.2137084e-09 1.2049137e-09 1.19649e-09 1.1907554e-09 1.1847200000000002e-09 1.1783504e-09 1.1716075e-09 1.1644448e-09 1.1568064e-09 1.1486249e-09 1.1398168000000001e-09 1.1302782e-09 1.119877e-09 1.1084414000000002e-09 1.0957428e-09 1.0814671e-09 1.0651662e-09 1.0461692e-09 1.0234038e-09 9.949956e-10 9.57192e-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" [ 0 0.000514176 0.00821071 0.0261449 0.0532343 0.0859622 0.120768 0.15503 0.187151 0.216329 0.242287 0.265051 0.284807 0.30181 0.316328 0.328618 0.338911 0.347408 0.354281 0.359677 0.363717 0.366504 0.368124 0.368651 0.368397 0.367564 0.366019 0.363597 0.36008 0.355185 0.348534 0.339612 0.327707 0.31181 0.290447 0.261395 0.221156 0.16395 0.079569 -0.0497158 -0.259847 -0.638723 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 0.0 8.238007661764608e-23 1.3155007602168767e-21 4.188874753315392e-21 8.529075088465345e-21 1.3772662711253377e-20 1.934916661407744e-20 2.4838544152262403e-20 2.9984895675934086e-20 3.465972662010432e-20 3.8818656692376964e-20 4.246585155196608e-20 4.563111168401856e-20 4.835529259236481e-20 5.068133261044224e-20 5.265040767740545e-20 5.429952807319489e-20 5.566089754788864e-20 5.676207353936448e-20 5.762660804394816e-20 5.827388739875137e-20 5.872041402296833e-20 5.897996663553792e-20 5.906440134345408e-20 5.902370605728576e-20 5.889024474477312e-20 5.864270845685952e-20 5.825466127930176e-20 5.769117576176641e-20 5.69069103058848e-20 5.584130263539073e-20 5.441184065431296e-20 5.2504449387250566e-20 4.99574692131648e-20 4.6534739298149766e-20 4.18800957794016e-20 3.543309727496448e-20 2.6267685698016004e-20 1.274835915404352e-20 -7.965349244436863e-21 -4.163207883850176e-20 -1.0233470577672385e-19 ] } }