{ "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" [ 8.14643 7.600588 7.262298 7.016511 6.823353 6.664212 6.528883 6.411158 6.30698 6.21355 6.128857 6.051405 5.980053 5.91391 5.852268 5.794551 5.740291 5.689096 5.640638 5.59464 5.550864 5.509105 5.469186 5.43095 5.40492 5.377525 5.348613 5.318007 5.285494 5.250824 5.213687 5.173706 5.13041 5.083198 5.031292 4.973652 4.908853 4.834862 4.748633 4.6453 4.516353 4.34476 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.146430000000001e-10 7.600588e-10 7.262298e-10 7.016511000000001e-10 6.823353e-10 6.664212e-10 6.528883000000001e-10 6.411158000000001e-10 6.306980000000001e-10 6.21355e-10 6.128857e-10 6.051405e-10 5.980053e-10 5.91391e-10 5.852268e-10 5.794551000000001e-10 5.740291000000001e-10 5.689096e-10 5.640638e-10 5.59464e-10 5.550864e-10 5.509105e-10 5.469186e-10 5.430950000000001e-10 5.40492e-10 5.377525000000001e-10 5.348613000000001e-10 5.318007e-10 5.285494e-10 5.250824e-10 5.213687e-10 5.173706e-10 5.13041e-10 5.083198000000001e-10 5.031292e-10 4.973652e-10 4.908853e-10 4.834862000000001e-10 4.748633e-10 4.6453e-10 4.5163529999999995e-10 4.34476e-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" [ 0.0055698 0.374133 1.01527 1.61714 2.12686 2.55071 2.90343 3.19849 3.44667 3.65636 3.83407 3.98488 4.11284 4.22118 4.31251 4.38897 4.45236 4.50415 4.54559 4.57775 4.60153 4.61773 4.62702 4.63 4.62859 4.62399 4.61558 4.60257 4.58396 4.55849 4.52451 4.47988 4.42172 4.34647 4.25046 4.12985 3.9755 3.75656 3.38365 2.62903 0.926281 -3.24861 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 8.92380334253184e-22 5.994271456697665e-20 1.6266418577996159e-19 2.590943900560512e-19 3.4076053677146884e-19 4.086687928440768e-19 4.651807666129345e-19 5.124545899862592e-19 5.522174093612736e-19 5.858134509228288e-19 6.142857316510657e-19 6.384481572693505e-19 6.589496093091072e-19 6.763075908188545e-19 6.909402698966208e-19 7.031905123392576e-19 7.133467099385088e-19 7.216443826576321e-19 7.282838025742272e-19 7.3343640258672e-19 7.372463785909825e-19 7.398419047166784e-19 7.413303267974016e-19 7.418077754304e-19 7.415818685268673e-19 7.408448672812993e-19 7.394974367432064e-19 7.374130049595456e-19 7.344313542682369e-19 7.303506104150593e-19 7.249064142575809e-19 7.177558999989504e-19 7.084376407723776e-19 6.963812617008577e-19 6.809987639645569e-19 6.616749117410881e-19 6.3694531559904005e-19 6.018672606632449e-19 5.42120492296992e-19 4.2121704013818247e-19 1.484065762491245e-19 -5.204846992097089e-19 ] } }