{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "fcc" ] } "species" { "source-value" [ "Si" "Si" "Si" "Si" ] } "a" { "source-value" [ 5.30263 4.947335 4.727137 4.567152 4.441423 4.337836 4.249748 4.17312 4.105309 4.044494 3.989366 3.938952 3.892508 3.849455 3.809331 3.771763 3.736444 3.70312 3.671579 3.641638 3.613144 3.585962 3.559978 3.53509 3.518147 3.500315 3.481495 3.461573 3.44041 3.417843 3.39367 3.367646 3.339463 3.308732 3.274945 3.237426 3.195248 3.147086 3.090958 3.023697 2.939763 2.82807 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 5.30263e-10 4.947335e-10 4.727137000000001e-10 4.567152e-10 4.4414230000000004e-10 4.3378360000000004e-10 4.2497480000000006e-10 4.17312e-10 4.105309e-10 4.0444940000000005e-10 3.989366e-10 3.938952e-10 3.892508e-10 3.849455e-10 3.809331e-10 3.771763e-10 3.736444e-10 3.7031200000000005e-10 3.671579e-10 3.641638e-10 3.613144e-10 3.585962e-10 3.5599780000000003e-10 3.53509e-10 3.518147e-10 3.5003150000000004e-10 3.481495e-10 3.461573e-10 3.44041e-10 3.417843e-10 3.39367e-10 3.367646e-10 3.339463e-10 3.308732e-10 3.274945e-10 3.237426e-10 3.195248e-10 3.147086e-10 3.090958e-10 3.023697e-10 2.939763e-10 2.82807e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0 ] ] } "cohesive-potential-energy" { "source-value" [ -0.525441 0.148646 0.781526 1.18071 1.32556 1.39372 1.47098 1.56052 1.64152 1.70132 1.74095 1.76889 1.79087 1.79821 1.80475 1.83289 1.90031 2.01272 2.16265 2.33283 2.50088 2.64387 2.74127 2.77665 2.75761 2.69185 2.5639 2.35425 2.03789 1.58214 0.943081 0.0636161 -1.15079 -2.86722 -5.37923 -9.22229 -15.4058 -25.8893 -44.5574 -79.2346 -155.19 -336.921 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ -8.41849285809773e-20 2.381571459754368e-20 1.252142685747341e-19 1.8917059579447679e-19 2.1237812414676483e-19 2.232985599941376e-19 2.356769765664384e-19 2.500228660290816e-19 2.6300049665756164e-19 2.725815128499456e-19 2.78930938798176e-19 2.8340742027669123e-19 2.869290044892096e-19 2.8810500212887683e-19 2.8915282563888e-19 2.936613506498112e-19 3.044632254272448e-19 3.224732928216576e-19 3.4649472689731207e-19 3.737605686300864e-19 4.006851467426304e-19 4.2359467024344963e-19 4.391998705300416e-19 4.448683714144321e-19 4.418178271284288e-19 4.3128191367004806e-19 4.10782063806912e-19 3.7719243095184e-19 3.265059713762112e-19 2.534867718832512e-19 1.5109823297206847e-19 1.0192422812647488e-20 -1.843768833450432e-19 -4.593792850690177e-19 -8.618476543905984e-19 -1.4775737428237632e-18 -2.468281258472064e-18 -4.147923118887744e-18 -7.138882456363393e-18 -1.2694782367843969e-17 -2.48641789781952e-17 -5.398069492565568e-17 ] } }