{ "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" [ "Cu" "Cu" "Cu" "Cu" ] } "a" { "source-value" [ 5.48001 5.112829 4.885265 4.719928 4.589992 4.482941 4.391906 4.312714 4.242634 4.179785 4.122813 4.070712 4.022715 3.978222 3.936755 3.89793 3.86143 3.826991 3.794395 3.763452 3.734005 3.705914 3.679061 3.65334 3.63583 3.617401 3.597953 3.577364 3.555493 3.532171 3.507189 3.480295 3.45117 3.419411 3.384493 3.34572 3.30213 3.252357 3.194352 3.12484 3.038099 2.92267 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 5.48001e-10 5.112829e-10 4.885265000000001e-10 4.719928e-10 4.5899919999999997e-10 4.482941e-10 4.391906e-10 4.312714e-10 4.242634e-10 4.1797850000000003e-10 4.122813e-10 4.0707120000000004e-10 4.022715e-10 3.978222e-10 3.936755e-10 3.8979300000000003e-10 3.86143e-10 3.826991e-10 3.7943950000000003e-10 3.763452e-10 3.734005e-10 3.705914e-10 3.679061e-10 3.65334e-10 3.63583e-10 3.617401e-10 3.597953e-10 3.5773640000000004e-10 3.555493e-10 3.532171e-10 3.507189e-10 3.480295e-10 3.45117e-10 3.4194110000000005e-10 3.384493e-10 3.3457200000000003e-10 3.30213e-10 3.2523570000000003e-10 3.194352e-10 3.1248399999999997e-10 3.038099e-10 2.9226700000000004e-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" [ 0.942272 1.32197 1.60831 1.84192 2.04098 2.2111 2.35814 2.48607 2.60097 2.70499 2.79679 2.87769 2.94877 3.0109 3.06485 3.11147 3.15208 3.18619 3.2142 3.23648 3.25334 3.26507 3.27195 3.27419 3.2731 3.26952 3.26655 3.26072 3.25071 3.23543 3.21339 3.18262 3.1404 3.08287 3.00451 2.89809 2.75004 2.53941 2.22987 1.76494 0.994057 -0.435641 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.5096861688344576e-19 2.1180294273989762e-19 2.576796680998848e-19 2.951081161383936e-19 3.270010439520384e-19 3.54257272625088e-19 3.7781567765733123e-19 3.983123231672256e-19 4.167213325402176e-19 4.3338717374977924e-19 4.480951551287233e-19 4.610567639909952e-19 4.724450354116417e-19 4.82399358756672e-19 4.91043101625888e-19 4.985124490320577e-19 5.050188882891265e-19 5.104839127426752e-19 5.14971609457536e-19 5.185412589686784e-19 5.212425287513473e-19 5.231218819275457e-19 5.24224179442656e-19 5.245830670057152e-19 5.24408429754048e-19 5.238348505238016e-19 5.233590040674241e-19 5.224249350974976e-19 5.208211563000769e-19 5.183730304234945e-19 5.148418331512512e-19 5.099119356890496e-19 5.031475459960321e-19 4.939302238965696e-19 4.813755678959808e-19 4.643252042974272e-19 4.406049794264832e-19 4.0685833326257285e-19 3.5726455814232965e-19 2.827745605114752e-19 1.5926548851425856e-19 -6.979738252619328e-20 ] } }