{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "diamond" ] } "species" { "source-value" [ "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" ] } "a" { "source-value" [ 8.73364 8.148455 7.78578 7.522278 7.315197 7.144585 6.999501 6.87329 6.761603 6.661439 6.570641 6.487607 6.411112 6.340202 6.274116 6.212239 6.154068 6.099183 6.047232 5.997919 5.950987 5.906219 5.863421 5.82243 5.794524 5.765154 5.734158 5.701345 5.666489 5.629319 5.589505 5.546643 5.500225 5.44961 5.393961 5.332166 5.262697 5.183372 5.090927 4.980145 4.841903 4.65794 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.73364e-10 8.148455e-10 7.78578e-10 7.522278e-10 7.315197000000001e-10 7.144585000000001e-10 6.999501000000001e-10 6.87329e-10 6.761603000000001e-10 6.661439e-10 6.570641000000001e-10 6.487607e-10 6.411112e-10 6.340202e-10 6.274116e-10 6.212239000000001e-10 6.154068e-10 6.099183e-10 6.047232e-10 5.997918999999999e-10 5.950986999999999e-10 5.906219000000001e-10 5.863421e-10 5.82243e-10 5.794524e-10 5.765154e-10 5.734158e-10 5.701345e-10 5.666489000000001e-10 5.629319e-10 5.589505e-10 5.546643000000001e-10 5.500225000000001e-10 5.44961e-10 5.393961e-10 5.332166e-10 5.262697e-10 5.183372e-10 5.090927e-10 4.980145e-10 4.841903000000001e-10 4.65794e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0.5 0 ] [ 0.5 0 0.5 ] [ 0.75 0.25 0.75 ] [ 0.25 0.25 0.25 ] [ 0.25 0.75 0.75 ] [ 0.75 0.75 0.25 ] ] } "cohesive-potential-energy" { "source-value" [ 0.171803 0.518325 0.832816 1.10549 1.3204 1.48428 1.6083 1.70382 1.77858 1.83804 1.8855 1.92352 1.95422 1.97938 2.0003 2.01768 2.03202 2.04373 2.05315 2.06054 2.06607 2.06987 2.07207 2.07279 2.07246 2.07143 2.06956 2.0667 2.06263 2.05709 2.04976 2.04018 2.02777 2.0117 1.99081 1.9634 1.92689 1.87893 1.81964 1.75184 1.68553 1.64706 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 2.752587499833024e-20 8.304481969761602e-20 1.3343183246281729e-19 1.7711902325281923e-19 2.1155140101043202e-19 2.3780787147210243e-19 2.57678065923264e-19 2.729820570051456e-19 2.849599294222464e-19 2.944864716095232e-19 3.0209040185184e-19 3.081818773641216e-19 3.1310055958997764e-19 3.171316359679104e-19 3.2048338945862403e-19 3.232679724255744e-19 3.2556549369980164e-19 3.274416425227584e-19 3.28950892899552e-19 3.3013490142232325e-19 3.310209050936256e-19 3.316297322095296e-19 3.319822110661056e-19 3.320975677828032e-19 3.3204469595431683e-19 3.318796717623744e-19 3.3158006473428485e-19 3.31121842220736e-19 3.304697563360704e-19 3.2958215048814725e-19 3.284077550251008e-19 3.268728698223744e-19 3.248845686359616e-19 3.22309870806336e-19 3.189629238454848e-19 3.1457135772787205e-19 3.0872181088533123e-19 3.010377718119744e-19 2.915384666272512e-19 2.8067570913822723e-19 2.700516759657024e-19 2.638881025054848e-19 ] } }