{ "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" [ "Fm" "Fm" "Fm" "Fm" "Fm" "Fm" "Fm" "Fm" ] } "a" { "source-value" [ 11.141 10.394507 9.931861 9.595723 9.33156 9.11392 8.928843 8.767842 8.625368 8.497593 8.381767 8.275844 8.178263 8.087807 8.003504 7.924571 7.850364 7.78035 7.71408 7.651173 7.591305 7.534195 7.479601 7.42731 7.374447 7.319971 7.263781 7.205766 7.145802 7.083755 7.019475 6.952794 6.883526 6.811463 6.73637 6.65798 6.57599 6.490055 6.399774 6.304685 6.204247 6.097823 5.984652 5.863821 5.734218 5.594468 5.442847 5.277149 5.094491 4.890999 4.661303 4.397641 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 1.1141000000000001e-09 1.0394507000000002e-09 9.931861e-10 9.595723e-10 9.33156e-10 9.11392e-10 8.928843e-10 8.767842e-10 8.625368e-10 8.497593000000001e-10 8.381767e-10 8.275844e-10 8.178263e-10 8.087807e-10 8.003504e-10 7.924571000000001e-10 7.850364e-10 7.780350000000001e-10 7.71408e-10 7.651173e-10 7.591305e-10 7.534195000000001e-10 7.479601e-10 7.427310000000001e-10 7.374447e-10 7.319971e-10 7.263781e-10 7.205766e-10 7.145802e-10 7.083755e-10 7.019475e-10 6.952794e-10 6.883526e-10 6.811463e-10 6.73637e-10 6.65798e-10 6.57599e-10 6.490055e-10 6.399774e-10 6.304685e-10 6.204247e-10 6.097823e-10 5.984652e-10 5.863821e-10 5.734218e-10 5.594468e-10 5.442847000000001e-10 5.277148999999999e-10 5.094491e-10 4.890999e-10 4.661303e-10 4.3976410000000006e-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" [ 0.332653 0.498629 0.644501 0.778198 0.903167 1.02023 1.13067 1.23448 1.33199 1.4234 1.50891 1.58869 1.66252 1.73036 1.79244 1.84863 1.89862 1.94231 1.97958 2.01031 2.03438 2.05165 2.06229 2.06588 2.06183 2.04827 2.02272 1.98217 1.92242 1.83826 1.72298 1.5678 1.3612 1.08804 0.727668 0.252257 -0.376058 -1.21123 -2.32914 -3.83845 -5.90069 -8.75851 -12.7894 -18.5938 -27.1627 -40.2 -60.7762 -94.7577 -154.152 -265.777 -496.545 -1039.76 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 5.329688638300019e-20 7.988917328347859e-20 1.032604442789634e-19 1.246810652225532e-19 1.447033063999878e-19 1.6345886673058198e-19 1.81153305476478e-19 1.97785501114032e-19 2.13408325472166e-19 2.2805382208356e-19 2.41754034480894e-19 2.54536199666946e-19 2.6636506975576797e-19 2.77234236040824e-19 2.87180548584696e-19 2.96183179091142e-19 3.04192460084508e-19 3.11192369798454e-19 3.1716368211337197e-19 3.22087170909654e-19 3.25943610067692e-19 3.2871056911461e-19 3.3041528505318595e-19 3.3099046646479196e-19 3.30341584928022e-19 3.2816903341231797e-19 3.2407547211244797e-19 3.1757864586157795e-19 3.08005640473428e-19 2.9452172192168397e-19 2.7605182968493196e-19 2.5118925267852e-19 2.1808828342008e-19 1.7432322648573597e-19 1.165852666909512e-19 4.0416027116293796e-20 -6.02511340628772e-20 -1.94060440439982e-19 -3.73169368531476e-19 -6.149874900777299e-19 -9.453947642477459e-19 -1.4032680070655337e-18 -2.0490877842879598e-18 -2.97905518972692e-18 -4.3519443256351796e-18 -6.44075006868e-18 -9.73742075433108e-18 -1.518185728315818e-17 -2.4697873248436795e-17 -4.2582169925461794e-17 -7.9555279672953e-17 -1.6658791769678398e-16 ] } }