{ "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 6.542689 6.494358 6.444506 6.393034 6.339833 6.284785 6.227754 6.168594 6.107139 6.043204 5.976581 5.907032 5.83429 5.758047 5.677949 5.593585 5.504476 5.410055 5.309648 5.202446 5.08746 4.963473 4.828953 4.681944 4.519888 4.339348 4.135559 3.901636 3.627094 3.2948 ] "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 6.542689e-10 6.494358e-10 6.444506e-10 6.393034e-10 6.339833e-10 6.284785e-10 6.227754e-10 6.168594e-10 6.107139000000001e-10 6.043204000000001e-10 5.976581000000001e-10 5.907032e-10 5.83429e-10 5.758047000000001e-10 5.677949e-10 5.593585000000001e-10 5.504476000000001e-10 5.410055e-10 5.309648000000001e-10 5.202446000000001e-10 5.08746e-10 4.963473e-10 4.828953e-10 4.681944e-10 4.519888e-10 4.3393480000000005e-10 4.135559e-10 3.901636e-10 3.627094e-10 3.2948e-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 0.719384 0.717561 0.714869 0.71157 0.707765 0.703031 0.696248 0.685572 0.667368 0.636197 0.585542 0.505646 0.382984 0.20568 -0.0261632 -0.309077 -0.644212 -1.04414 -1.52061 -2.15885 -3.20173 -5.30547 -6.77886 -8.58602 -10.958 -14.1148 -18.4748 -24.7831 -34.4272 -52.5862 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 2.5756912003510795e-20 3.7895963488675197e-20 4.5661232980682997e-20 5.4001363448969996e-20 6.38927213342958e-20 7.25130724958694e-20 7.76905062886404e-20 8.1043701765939e-20 8.367191231635259e-20 8.61525623987748e-20 8.880031950412319e-20 9.16863202749474e-20 9.471523520152438e-20 9.791141736869099e-20 1.0139647198296779e-19 1.0475142985456379e-19 1.07715136192137e-19 1.1015124576413398e-19 1.1199679302883859e-19 1.1334566553700318e-19 1.142943143219946e-19 1.14913715808699e-19 1.152567418260384e-19 1.1536360700752618e-19 1.152580235673456e-19 1.149659467669674e-19 1.145346408170946e-19 1.14006082745538e-19 1.1339645453630098e-19 1.1263798411776538e-19 1.115512277069232e-19 1.098407439324648e-19 1.0692414158793118e-19 1.019299968020898e-19 9.38141710625628e-20 8.10134206275564e-20 6.13608015995856e-20 3.2953569008112e-20 -4.1918067710668796e-21 -4.951959475068179e-20 -1.032141413742408e-19 -1.67289671062476e-19 -2.43628581142674e-19 -3.4588590263109e-19 -5.12973699437682e-19 -8.500300066387979e-19 -1.0860931097157239e-18 -1.3756320623056678e-18 -1.7556651555371998e-18 -2.26144027535832e-18 -2.9599892877823196e-18 -3.97069037380854e-18 -5.51584554140448e-18 -8.425238091085079e-18 ] } }