{ "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" [ "Au" "Au" ] } "a" { "source-value" [ 4.85484 4.529548 4.327945 4.181469 4.066357 3.971518 3.890869 3.820711 3.758626 3.702947 3.652475 3.606318 3.563796 3.524378 3.487643 3.453247 3.42091 3.390401 3.361523 3.334111 3.308022 3.283136 3.259346 3.23656 3.213524 3.189785 3.1653 3.140019 3.113889 3.086851 3.05884 3.029782 2.999598 2.968195 2.935472 2.901313 2.865584 2.828137 2.788795 2.747359 2.703592 2.657215 2.607899 2.555246 2.498769 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 4.85484e-10 4.5295480000000005e-10 4.327945e-10 4.181469e-10 4.0663570000000003e-10 3.971518e-10 3.890869e-10 3.8207110000000005e-10 3.7586260000000004e-10 3.702947e-10 3.652475e-10 3.606318e-10 3.563796e-10 3.524378e-10 3.487643e-10 3.4532470000000005e-10 3.42091e-10 3.3904010000000003e-10 3.3615230000000003e-10 3.3341110000000003e-10 3.308022e-10 3.283136e-10 3.259346e-10 3.23656e-10 3.213524e-10 3.189785e-10 3.1653e-10 3.1400190000000004e-10 3.113889e-10 3.086851e-10 3.05884e-10 3.029782e-10 2.9995980000000006e-10 2.968195e-10 2.935472e-10 2.901313e-10 2.8655840000000005e-10 2.828137e-10 2.788795e-10 2.747359e-10 2.703592e-10 2.657215e-10 2.607899e-10 2.555246e-10 2.498769e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ 0.75414 1.12557 1.43182 1.69986 1.94032 2.15953 2.36058 2.54494 2.71347 2.86683 3.00559 3.13032 3.24165 3.34038 3.42731 3.50316 3.56858 3.6241 3.67021 3.70733 3.73579 3.75589 3.76783 3.77178 3.76743 3.75314 3.7267 3.68542 3.626 3.54438 3.43553 3.29324 3.10982 2.87562 2.57863 2.2037 1.7316 1.13767 0.389713 -0.554629 -1.75184 -3.27768 -5.23506 -7.76697 -11.0784 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.20826548676476e-19 1.80336195393138e-19 2.29402854809388e-19 2.7234759730712396e-19 3.1087353664828797e-19 3.45994850642202e-19 3.78206611868772e-19 4.07744340293196e-19 4.347458231059979e-19 4.59316803965022e-19 4.81548606938406e-19 5.01532556094288e-19 5.1936958856060995e-19 5.35187878468092e-19 5.49115599947454e-19 5.612681097163439e-19 5.71749549255972e-19 5.8064483392794e-19 5.88032470387314e-19 5.939797500527219e-19 5.985395447530859e-19 6.017599197874259e-19 6.03672918688422e-19 6.04305778458852e-19 6.03608831623062e-19 6.01319321213076e-19 5.9708316619278e-19 5.90469381047628e-19 5.809492474883999e-19 5.67872281801692e-19 5.50432589140602e-19 5.27635217815416e-19 4.982480939945879e-19 4.60725117226308e-19 4.1314207337314196e-19 3.5307166483458e-19 2.7743290594344e-19 1.8227482912027798e-19 6.24389062566042e-20 -8.88613624338786e-20 -2.8067571145065597e-19 -5.25142230972912e-19 -8.387490809588039e-19 -1.2444057850978979e-18 -1.77495536221056e-18 ] } }