{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "bcc" ] } "species" { "source-value" [ "Si" "Si" ] } "a" { "source-value" [ 4.90992 4.580937 4.377047 4.22891 4.112492 4.016576 3.935012 3.864058 3.80127 3.744959 3.693913 3.647233 3.604229 3.564364 3.527211 3.492425 3.459722 3.428866 3.399661 3.371937 3.345553 3.320385 3.296325 3.27328 3.257592 3.24108 3.223654 3.205208 3.185612 3.164716 3.142333 3.118236 3.092141 3.063686 3.032401 2.997661 2.958606 2.914011 2.862039 2.799759 2.722041 2.61862 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 4.90992e-10 4.5809369999999996e-10 4.3770470000000005e-10 4.2289100000000003e-10 4.1124919999999995e-10 4.016576e-10 3.935012e-10 3.864058e-10 3.8012700000000004e-10 3.7449590000000004e-10 3.693913e-10 3.6472330000000003e-10 3.6042290000000003e-10 3.564364e-10 3.527211e-10 3.492425e-10 3.459722e-10 3.4288660000000005e-10 3.399661e-10 3.371937e-10 3.3455530000000003e-10 3.320385e-10 3.296325e-10 3.2732800000000003e-10 3.2575919999999997e-10 3.24108e-10 3.223654e-10 3.205208e-10 3.185612e-10 3.164716e-10 3.142333e-10 3.118236e-10 3.0921409999999997e-10 3.063686e-10 3.032401e-10 2.997661e-10 2.9586060000000004e-10 2.914011e-10 2.8620390000000006e-10 2.799759e-10 2.722041e-10 2.61862e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ 1.1689 1.62267 1.96889 2.25253 2.49314 2.70141 2.88392 3.04512 3.18815 3.31536 3.42856 3.52916 3.61831 3.69695 3.76587 3.82573 3.87711 3.92051 3.95634 3.98498 4.00679 4.02204 4.03102 4.03397 4.03253 4.02779 4.01896 4.00504 3.98472 3.95631 3.91752 3.86529 3.79537 3.70174 3.57562 3.40386 3.16576 2.82725 2.32831 1.55373 0.253497 -2.22832 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.8727842520531201e-19 2.599803937273536e-19 3.1545095269269124e-19 3.6089509036506245e-19 3.994450620381312e-19 4.3281359451953283e-19 4.620549200257536e-19 4.878820071530496e-19 5.10797939360352e-19 5.311792281535488e-19 5.493158675010048e-19 5.654337643062529e-19 5.797171688806848e-19 5.92316685826656e-19 6.033588870972097e-19 6.129495163493184e-19 6.211814998269889e-19 6.281349463612608e-19 6.338755451935872e-19 6.384641790355585e-19 6.419585262455231e-19 6.444018455922432e-19 6.458406001977216e-19 6.463132423008576e-19 6.460825288674625e-19 6.453230971492033e-19 6.439083751930368e-19 6.416781453368833e-19 6.384225224434176e-19 6.338707386637249e-19 6.276558955516417e-19 6.192877270612032e-19 6.080853081285697e-19 5.930841284280192e-19 5.728774768864896e-19 5.453584912476288e-19 5.072106659063809e-19 4.5297538511568e-19 3.7303638479748486e-19 2.489349881035584e-19 4.0614696684293755e-20 -3.5701622076610563e-19 ] } }