{ "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" [ "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" ] } "a" { "source-value" [ 9.88438 9.222091 8.81163 8.513409 8.279043 8.085952 7.921752 7.778911 7.652508 7.539147 7.436385 7.34241 7.255837 7.175583 7.10079 7.03076 6.964924 6.902807 6.844012 6.788201 6.735086 6.684418 6.635983 6.58959 6.558007 6.524767 6.489687 6.452551 6.413103 6.371035 6.325976 6.277466 6.224933 6.167648 6.104668 6.034731 5.956108 5.866332 5.761707 5.636327 5.479871 5.27167 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 9.884380000000001e-10 9.222091000000001e-10 8.811629999999999e-10 8.513409e-10 8.279043e-10 8.085952000000001e-10 7.921752e-10 7.778911e-10 7.652508000000001e-10 7.539147e-10 7.436385e-10 7.34241e-10 7.255837e-10 7.175583e-10 7.10079e-10 7.03076e-10 6.964924e-10 6.902807e-10 6.844012e-10 6.788201e-10 6.735086000000001e-10 6.684418e-10 6.635983e-10 6.589590000000001e-10 6.558007e-10 6.524767e-10 6.489687e-10 6.452551e-10 6.413103e-10 6.371035e-10 6.325976e-10 6.277466000000001e-10 6.224933e-10 6.167648e-10 6.104668000000001e-10 6.034731e-10 5.956108e-10 5.866332000000001e-10 5.761707000000001e-10 5.636327e-10 5.479871e-10 5.27167e-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" [ 0.160762 0.236528 0.284995 0.33705 0.398787 0.452591 0.484906 0.505835 0.522239 0.537722 0.554248 0.572261 0.591166 0.611115 0.632867 0.653807 0.672305 0.68751 0.699029 0.707448 0.713369 0.717235 0.719376 0.720043 0.719738 0.718821 0.717338 0.715345 0.712902 0.710051 0.706677 0.702295 0.695839 0.685357 0.666425 0.630883 0.565304 0.442462 0.215263 -0.161369 -0.743698 -1.72092 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 2.575691179130496e-20 3.789596317645824e-20 4.56612326044896e-20 5.400136300406401e-20 6.389272080789697e-20 7.251307189844929e-20 7.769050564856449e-20 8.104370109823681e-20 8.367191162699712e-20 8.615256168898177e-20 8.880031877251583e-20 9.168631951956288e-20 9.471523442118528e-20 9.79114165620192e-20 1.0139647114758336e-19 1.0475142899153858e-19 1.0771513530469441e-19 1.101512448566208e-19 1.1199679210612033e-19 1.1334566460317184e-19 1.1429431338034754e-19 1.1491371486194879e-19 1.1525674087646209e-19 1.1536360605706945e-19 1.1531473967013504e-19 1.1516782007400769e-19 1.1493021728114306e-19 1.146109034806176e-19 1.1421949173215618e-19 1.1376271117756607e-19 1.1322213678570816e-19 1.125200629904736e-19 1.1148569776408513e-19 1.0980629623016256e-19 1.0677305545166401e-19 1.0107859930601664e-19 9.057168524447233e-20 7.089022719924097e-20 3.448893459232704e-20 -2.5854163912187522e-20 -1.1915355485357185e-19 -2.757217790267136e-19 ] } }