{ "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" [ "Fe" "Fe" ] } "a" { "source-value" [ 4.28292 3.995949 3.818095 3.688875 3.587324 3.503657 3.432509 3.370616 3.315845 3.266725 3.222198 3.181479 3.143966 3.109192 3.076784 3.04644 3.017913 2.990998 2.965522 2.941339 2.918324 2.896369 2.875382 2.85528 2.841595 2.827192 2.811992 2.7959 2.778807 2.760579 2.741055 2.720035 2.697272 2.672451 2.645161 2.614857 2.58079 2.541889 2.496555 2.442228 2.374434 2.28422 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 4.28292e-10 3.995949e-10 3.818095e-10 3.688875e-10 3.5873240000000005e-10 3.5036570000000003e-10 3.432509e-10 3.370616e-10 3.315845e-10 3.2667250000000004e-10 3.2221980000000004e-10 3.181479e-10 3.1439659999999997e-10 3.1091920000000005e-10 3.076784e-10 3.0464400000000003e-10 3.017913e-10 2.9909979999999997e-10 2.965522e-10 2.9413390000000005e-10 2.918324e-10 2.896369e-10 2.875382e-10 2.8552800000000003e-10 2.8415949999999997e-10 2.8271920000000004e-10 2.811992e-10 2.7959e-10 2.778807e-10 2.760579e-10 2.741055e-10 2.720035e-10 2.697272e-10 2.672451e-10 2.645161e-10 2.614857e-10 2.58079e-10 2.541889e-10 2.496555e-10 2.442228e-10 2.374434e-10 2.28422e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ 0.631913 1.17426 1.67261 2.03454 2.33398 2.60078 2.83201 3.02746 3.19368 3.34084 3.47503 3.59553 3.70007 3.7877 3.85872 3.9166 3.96458 4.0051 4.03994 4.06971 4.09338 4.11009 4.11949 4.1224 4.12107 4.11686 4.10935 4.09805 4.0824 4.06159 4.0335 3.99458 3.93977 3.86184 3.75294 3.6032 3.39792 3.11456 2.70879 2.04327 0.761035 -2.36038 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.0124362349795904e-19 1.8813719187406083e-19 2.679816637716288e-19 3.259692422082432e-19 3.739448189414784e-19 4.166908911844224e-19 4.537380211871808e-19 4.850525632407169e-19 5.116839430316544e-19 5.352615741833472e-19 5.567611822578624e-19 5.760674105385024e-19 5.928165649323457e-19 6.06856438660416e-19 6.182350970213376e-19 6.27508495302528e-19 6.351957387291265e-19 6.41687758396608e-19 6.472697417434752e-19 6.520394215435968e-19 6.558317736050304e-19 6.585090107383872e-19 6.600150567619392e-19 6.604812901585921e-19 6.602682006680256e-19 6.595936843106688e-19 6.583904496684481e-19 6.56579990086944e-19 6.54072583675392e-19 6.507384541275072e-19 6.4623793999968e-19 6.400022685915264e-19 6.312207385329217e-19 6.187349761270272e-19 6.012872727265153e-19 5.772962800066561e-19 5.444067983348737e-19 4.990075216078848e-19 4.339960008656833e-19 3.2736794239820163e-19 1.219312484610528e-19 -3.7817456522039043e-19 ] } }