{ "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" [ 1.8727842674826e-19 2.59980395869278e-19 3.15450955291626e-19 3.60895093338402e-19 3.9944506532907594e-19 4.32813598085394e-19 4.62054923832528e-19 4.87882011172608e-19 5.1079794356871e-19 5.31179232529824e-19 5.49315872026704e-19 5.654337689647439e-19 5.79717173656854e-19 5.9231669070663e-19 6.033588920681579e-19 6.12949521399282e-19 6.21181504944774e-19 6.28134951536334e-19 6.33875550415956e-19 6.38464184295732e-19 6.419585315344859e-19 6.444018509013359e-19 6.45840605518668e-19 6.463132476256979e-19 6.460825341904021e-19 6.45323102465886e-19 6.43908380498064e-19 6.41678150623536e-19 6.384225277032479e-19 6.33870743886054e-19 6.27655900722768e-19 6.192877321633859e-19 6.08085313138458e-19 5.930841333143159e-19 5.728774816063079e-19 5.453584957407239e-19 5.0721067008518395e-19 4.5297538884765e-19 3.73036387870854e-19 2.4893499015448197e-19 4.0614697018909795e-20 -3.57016223707488e-19 ] } }