{ "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" [ 5.22569 4.875549 4.658545 4.500881 4.376975 4.274891 4.188081 4.112564 4.045737 3.985805 3.931476 3.881793 3.836023 3.793595 3.754053 3.717029 3.682223 3.649383 3.618299 3.588792 3.560711 3.533924 3.508317 3.48379 3.467093 3.449519 3.430973 3.41134 3.390484 3.368244 3.344422 3.318776 3.291002 3.260717 3.22742 3.190446 3.14888 3.101417 3.046103 2.979818 2.897102 2.78703 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 5.225690000000001e-10 4.875549e-10 4.658545e-10 4.500881e-10 4.376975e-10 4.274891e-10 4.1880810000000004e-10 4.112564e-10 4.045737e-10 3.9858050000000004e-10 3.931476e-10 3.8817930000000003e-10 3.836023e-10 3.793595e-10 3.754053e-10 3.717029e-10 3.682223e-10 3.649383e-10 3.618299e-10 3.588792e-10 3.5607110000000003e-10 3.533924e-10 3.508317e-10 3.48379e-10 3.467093e-10 3.449519e-10 3.430973e-10 3.41134e-10 3.390484e-10 3.368244e-10 3.344422e-10 3.318776e-10 3.2910020000000004e-10 3.260717e-10 3.2274200000000003e-10 3.1904460000000004e-10 3.14888e-10 3.101417e-10 3.046103e-10 2.979818e-10 2.897102e-10 2.78703e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ 0 0 0 0 0 2.41017e-09 0.000615344 0.0212193 0.111623 0.289827 0.53564 0.819428 1.11676 1.41112 1.6926 1.95584 2.1984 2.41883 2.61326 2.77561 2.90139 2.98923 3.04018 3.05656 3.04882 3.02373 2.97806 2.90795 2.80867 2.67441 2.49794 2.27017 1.9795 1.61092 1.1446 0.553718 -0.199174 -1.16838 -2.4368 -4.14008 -6.52337 -10.1021 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 0.0 0.0 0.0 0.0 0.0 3.8615180261535366e-28 9.858897705495553e-23 3.399706636974144e-21 1.7883976094355842e-20 4.6435404347660163e-20 8.581898851653121e-20 1.3128683840289025e-19 1.789246763044608e-19 2.260863473143296e-19 2.7118441483660805e-19 3.133601122025472e-19 3.52222508316672e-19 3.875392875689664e-19 4.1869040760718083e-19 4.447017450458688e-19 4.648539225822913e-19 4.789274420193985e-19 4.870905319023744e-19 4.897148972072449e-19 4.884748125027456e-19 4.844549513611584e-19 4.771378107339649e-19 4.659049504455361e-19 4.499985409542337e-19 4.2848771764337283e-19 4.0021410681611517e-19 3.637213299241536e-19 3.1715086208736e-19 2.580978361979136e-19 1.8338513601676801e-19 8.871540341161345e-20 -3.191119262712192e-20 -1.8719511202103042e-19 -3.90418398956544e-19 -6.633139384241664e-19 -1.0451590902828097e-18 -1.6185348440983682e-18 ] } }