{ "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" [ "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" ] } "a" { "source-value" [ 9.35628 8.729375 8.340844 8.058555 7.836711 7.653936 7.498509 7.3633 7.24365 7.136345 7.039074 6.950119 6.868171 6.792206 6.721408 6.65512 6.592801 6.534003 6.478349 6.42552 6.375243 6.327282 6.281434 6.23752 6.193125 6.147376 6.100187 6.051465 6.001107 5.948999 5.895016 5.839017 5.780845 5.720326 5.657262 5.591429 5.522573 5.450404 5.374585 5.294729 5.21038 5.121003 5.025961 4.924486 4.815644 4.698281 4.570948 4.431794 4.278395 4.107501 3.9146 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 9.35628e-10 8.729374999999999e-10 8.340844000000001e-10 8.058555000000001e-10 7.836711000000001e-10 7.653936e-10 7.498509e-10 7.3633e-10 7.24365e-10 7.136345e-10 7.039074000000001e-10 6.950119e-10 6.868171e-10 6.792206e-10 6.721408000000001e-10 6.65512e-10 6.592801e-10 6.534003e-10 6.478349e-10 6.42552e-10 6.375243e-10 6.327282000000001e-10 6.281434e-10 6.237520000000001e-10 6.193125000000001e-10 6.147376e-10 6.100187e-10 6.051465e-10 6.001107e-10 5.948999e-10 5.895016e-10 5.839017e-10 5.780845e-10 5.720326e-10 5.657262e-10 5.591429e-10 5.522573000000001e-10 5.450404e-10 5.374585e-10 5.294729e-10 5.21038e-10 5.121003e-10 5.025961e-10 4.924486000000001e-10 4.815644e-10 4.698281e-10 4.5709479999999995e-10 4.4317940000000003e-10 4.278395e-10 4.1075010000000004e-10 3.9146e-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" [ 0.438994 0.715152 0.899352 1.05807 1.19168 1.30833 1.41012 1.49952 1.57833 1.64795 1.70943 1.76367 1.81135 1.85309 1.88937 1.92087 1.94789 1.97061 1.9893 2.00423 2.01564 2.02345 2.0279 2.02935 2.02779 2.02275 2.0136 1.99961 1.9799 1.95343 1.91893 1.87488 1.81944 1.75035 1.66484 1.55948 1.43006 1.27131 1.07636 0.836302 0.540016 0.172988 -0.283732 -0.856041 -1.57915 -2.5018 -3.69354 -5.25133 -7.32181 -10.1293 -14.0427 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 7.033459292661959e-20 1.1457998241583678e-19 1.440920760141168e-19 1.69521503113638e-19 1.90928185120512e-19 2.0961757555612197e-19 2.2592613151360797e-19 2.4024959062156797e-19 2.5287634467412196e-19 2.6403069840003e-19 2.73880880345862e-19 2.82571086408678e-19 2.9021026459959e-19 2.9689774986990596e-19 3.0271044669805796e-19 3.07757303095158e-19 3.1208638436022596e-19 3.1572652967267395e-19 3.1872099780162e-19 3.21113047516182e-19 3.2294113105557594e-19 3.2419243100673e-19 3.2490539960885993e-19 3.2513771522079e-19 3.2488777566588596e-19 3.2408027864234995e-19 3.2261428702223996e-19 3.20372841911274e-19 3.1721495176566e-19 3.1297399021546196e-19 3.0744648082816197e-19 3.00388892755392e-19 2.9150642549649596e-19 2.8043698713219e-19 2.66736774734856e-19 2.4985624171903197e-19 2.29120871721804e-19 2.0368631765705398e-19 1.7245188417722398e-19 1.3399035233674678e-19 8.65201017186144e-20 2.7715733156239197e-20 -4.5458878071808794e-20 -1.371528887945994e-19 -2.5300772315810997e-19 -4.0083255029411994e-19 -5.9177034847443595e-19 -8.41355822342322e-19 -1.173083290058754e-18 -1.62289277787762e-18 -2.2498885818271798e-18 ] } }