{ "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" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "a" { "source-value" [ 8.14572 7.599927 7.261666 7.015901 6.82276 6.663633 6.528316 6.410601 6.306432 6.213011 6.128325 6.05088 5.979535 5.913398 5.85176 5.794049 5.739793 5.688603 5.64015 5.594156 5.550384 5.508628 5.468712 5.43048 5.391829 5.351999 5.310916 5.268498 5.224655 5.17929 5.132291 5.083537 5.032892 4.980203 4.925298 4.867983 4.808037 4.745205 4.679196 4.609671 4.536236 4.458424 4.375678 4.287333 4.192573 4.090395 3.979537 3.858387 3.724836 3.576053 3.40811 3.215334 2.989084 2.71524 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.145720000000001e-10 7.599927e-10 7.261666e-10 7.015901000000001e-10 6.82276e-10 6.663633e-10 6.528316e-10 6.410601e-10 6.306432e-10 6.213011000000001e-10 6.128325e-10 6.05088e-10 5.979535000000001e-10 5.913398e-10 5.85176e-10 5.794049e-10 5.739793e-10 5.688603e-10 5.64015e-10 5.594156e-10 5.550384000000001e-10 5.508628e-10 5.468712000000001e-10 5.430480000000001e-10 5.391829000000001e-10 5.351999e-10 5.310916e-10 5.268498e-10 5.224655000000001e-10 5.17929e-10 5.132291e-10 5.083536999999999e-10 5.032892000000001e-10 4.980203000000001e-10 4.925298e-10 4.867983e-10 4.808037e-10 4.745205000000001e-10 4.679196e-10 4.6096709999999997e-10 4.536236e-10 4.458424e-10 4.375678e-10 4.2873330000000005e-10 4.1925730000000003e-10 4.090395e-10 3.9795370000000005e-10 3.8583870000000003e-10 3.724836e-10 3.576053e-10 3.4081100000000004e-10 3.215334e-10 2.989084e-10 2.7152400000000004e-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" [ 1.44804 2.00336 2.39724 2.72287 3.00131 3.23828 3.44256 3.6201 3.77521 3.9111 4.03026 4.13466 4.22591 4.30533 4.37403 4.43294 4.48286 4.5245 4.55846 4.58528 4.60545 4.61941 4.62753 4.63017 4.62735 4.61825 4.60178 4.57665 4.54131 4.49398 4.43259 4.35455 4.25679 4.13556 3.98629 3.80136 3.48839 2.95643 2.14647 1.01181 -0.462731 -2.2347 -4.17481 -6.07725 -8.2665 -11.1587 -15.5275 -21.9302 -30.4183 -40.8354 -55.819 -79.9952 -122.06 -203.083 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 2.32001585309736e-19 3.2097365814902395e-19 3.84080191409016e-19 4.36251869141958e-19 4.80862875339054e-19 5.18829655034952e-19 5.51558919314304e-19 5.8000396327434e-19 6.04855325044314e-19 6.2662730332373995e-19 6.45718840094484e-19 6.62445564153444e-19 6.770654259386939e-19 6.897899127659219e-19 7.00796866241502e-19 7.10235288792396e-19 7.182333545493239e-19 7.249048180532999e-19 7.30345809902364e-19 7.346428476347519e-19 7.3787443790553e-19 7.40111076486594e-19 7.414120439134019e-19 7.418350185447779e-19 7.4138320473399e-19 7.399252239970499e-19 7.372864390808519e-19 7.3326016919961e-19 7.27598076975054e-19 7.200149749663319e-19 7.10179212610206e-19 6.976758261584699e-19 6.820129473844859e-19 6.62589760050504e-19 6.38674069434786e-19 6.090450169422239e-19 5.58901694827926e-19 4.73672306605662e-19 3.4390240795819797e-19 1.62109834004754e-19 -7.41376796027454e-20 -3.5803841239998e-19 -6.688783033389539e-19 -9.7368279489765e-19 -1.3244393144961e-18 -1.78782084058158e-18 -2.4877797684434996e-18 -3.513605401894679e-18 -4.873548950600219e-18 -6.542552372004359e-18 -8.943189753324599e-18 -1.2816644027215678e-17 -1.9556167994603998e-17 -3.2537483736262195e-17 ] } }