{ "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" [ "P" "P" ] } "a" { "source-value" [ 4.50333 4.20159 4.014584 3.878714 3.771937 3.683964 3.609154 3.544076 3.486487 3.434839 3.388021 3.345206 3.305763 3.269199 3.235123 3.203218 3.173223 3.144922 3.118135 3.092708 3.068508 3.045424 3.023356 3.00222 2.987831 2.972687 2.956705 2.939785 2.921813 2.902647 2.882118 2.860017 2.836083 2.809985 2.781291 2.749428 2.713608 2.672706 2.625039 2.567917 2.496636 2.40178 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 4.50333e-10 4.2015900000000007e-10 4.0145840000000004e-10 3.878714e-10 3.771937e-10 3.6839640000000003e-10 3.609154e-10 3.5440760000000003e-10 3.486487e-10 3.4348390000000004e-10 3.388021e-10 3.3452060000000003e-10 3.3057629999999997e-10 3.269199e-10 3.235123e-10 3.2032180000000004e-10 3.173223e-10 3.1449220000000005e-10 3.118135e-10 3.092708e-10 3.0685080000000003e-10 3.045424e-10 3.023356e-10 3.00222e-10 2.987831e-10 2.972687e-10 2.956705e-10 2.9397850000000004e-10 2.921813e-10 2.902647e-10 2.8821180000000004e-10 2.860017e-10 2.836083e-10 2.8099850000000005e-10 2.781291e-10 2.749428e-10 2.713608e-10 2.672706e-10 2.6250390000000003e-10 2.567917e-10 2.496636e-10 2.4017800000000003e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ 0.842893 0.967034 1.21601 1.42353 1.601 1.75508 1.8901 2.00912 2.11438 2.2076 2.29014 2.36311 2.42741 2.4838 2.53292 2.57532 2.61149 2.64184 2.66675 2.68655 2.70152 2.71193 2.71802 2.72 2.71904 2.71588 2.71001 2.70081 2.68746 2.6689 2.64374 2.61011 2.56546 2.50621 2.42725 2.32097 2.17568 1.97245 1.67874 1.2337 0.509755 -0.811969 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.350463469562162e-19 1.549359279083556e-19 1.9482628087103399e-19 2.28074650379802e-19 2.565084791034e-19 2.81194816680072e-19 3.0282740559234e-19 3.2189651189020794e-19 3.38761023139692e-19 3.5369651372183993e-19 3.6692087965887597e-19 3.7861196255717393e-19 3.88913958313794e-19 3.9794863235292e-19 4.0581852397912797e-19 4.12611752907288e-19 4.1840682579246593e-19 4.23269431876656e-19 4.2726045387195e-19 4.3043276360727e-19 4.3283122202836797e-19 4.34499087904362e-19 4.35474813474468e-19 4.35792044448e-19 4.35638235491136e-19 4.351319476747919e-19 4.341914699906339e-19 4.32717467487354e-19 4.30578561680964e-19 4.2760492184825993e-19 4.23573845437116e-19 4.18185725416974e-19 4.1103200674616397e-19 4.0153911018971395e-19 3.8888832348764997e-19 3.7186039022149796e-19 3.4858236590611197e-19 3.1602133017332997e-19 2.6896380025611596e-19 1.9766053133657999e-19 8.167175500646699e-20 -1.300917759332346e-19 ] } }