{ "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" [ "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" ] } "a" { "source-value" [ 9.14532 8.53255 8.152779 7.876856 7.660013 7.48136 7.329437 7.197276 7.080324 6.975439 6.880361 6.793412 6.713312 6.639059 6.569858 6.505064 6.444151 6.386678 6.332279 6.280641 6.231497 6.184618 6.139804 6.09688 6.053486 6.008768 5.962643 5.91502 5.865798 5.814865 5.762099 5.707362 5.650502 5.591347 5.529705 5.465357 5.398054 5.327511 5.253402 5.175346 5.092899 5.005538 4.912639 4.813452 4.707064 4.592347 4.467885 4.331868 4.181928 4.014887 3.826336 3.609903 3.355888 3.04844 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 9.145320000000001e-10 8.532550000000001e-10 8.152779000000001e-10 7.876856e-10 7.660013e-10 7.48136e-10 7.329437000000001e-10 7.197276e-10 7.080324e-10 6.975439e-10 6.880361e-10 6.793412e-10 6.713312000000001e-10 6.639059e-10 6.569858e-10 6.505064000000001e-10 6.444151e-10 6.386678e-10 6.332279e-10 6.280641000000001e-10 6.231497000000001e-10 6.184618000000001e-10 6.139804e-10 6.09688e-10 6.053486000000001e-10 6.008768e-10 5.962643e-10 5.91502e-10 5.865798e-10 5.814865e-10 5.762099e-10 5.707362e-10 5.650502000000001e-10 5.591347e-10 5.529705e-10 5.465357e-10 5.398054e-10 5.327511000000001e-10 5.253402e-10 5.175346000000001e-10 5.092899e-10 5.005538e-10 4.912639e-10 4.813452e-10 4.707064e-10 4.592347e-10 4.467885e-10 4.3318680000000005e-10 4.1819280000000005e-10 4.0148870000000003e-10 3.826336e-10 3.609903e-10 3.3558880000000006e-10 3.04844e-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" [ 0.464327 0.615664 0.726692 0.815183 0.888935 0.951459 1.00553 1.05241 1.09327 1.129 1.16036 1.18793 1.212 1.2329 1.25117 1.26697 1.28037 1.29153 1.30062 1.30777 1.31309 1.3167 1.31897 1.31971 1.31891 1.31635 1.3117 1.30474 1.29488 1.28159 1.2642 1.24193 1.21381 1.17876 1.13522 1.0814 1.0153 0.933642 0.832622 0.708065 0.553311 0.360392 0.116788 -0.193583 -0.593473 -1.11612 -1.80968 -2.75098 -4.06175 -5.94913 -8.78521 -13.2898 -21.035 -35.9544 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 7.439338699353179e-20 9.86402475194976e-20 1.164288942514728e-19 1.3060671550340218e-19 1.4242308861447899e-19 1.524405378009006e-19 1.61103667078602e-19 1.68614671138794e-19 1.75161164865318e-19 1.808857419786e-19 1.85910167902824e-19 1.9032736888276199e-19 1.9418380804079998e-19 1.9753235720586001e-19 2.0045953391617797e-19 2.0299097299789797e-19 2.05137889687458e-19 2.06925918811002e-19 2.0838229737130801e-19 2.09527853664618e-19 2.10380211633906e-19 2.1095859739877998e-19 2.11322291494698e-19 2.1144085256561398e-19 2.1131267843489398e-19 2.1090252121658998e-19 2.1015750908178e-19 2.09042394144516e-19 2.0746264798339199e-19 2.0533335523680598e-19 2.0254717007028e-19 1.98979122706362e-19 1.94473802011554e-19 1.8885817290938398e-19 1.8188229584494797e-19 1.7325938120075999e-19 1.6266899365002002e-19 1.495859396921028e-19 1.3340075133543479e-19 1.13444519835321e-19 8.865019555351739e-20 5.774116414805279e-20 1.87115004731592e-20 -3.10154159339622e-20 -9.50848573509882e-20 -1.78822138474008e-19 -2.8994270110171196e-19 -4.40755587660132e-19 -6.5076409431495e-19 -9.53155707862842e-19 -1.4075458186783138e-18 -2.1292607030533196e-18 -3.3701785496189997e-18 -5.7605299569489595e-18 ] } }