{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "fcc" ] } "species" { "source-value" [ "Si" "Si" "Si" "Si" ] } "a" { "source-value" [ 5.79079 5.402786 5.162317 4.987604 4.8503 4.737177 4.64098 4.557297 4.483243 4.41683 4.356627 4.301571 4.250852 4.203835 4.160018 4.118991 4.08042 4.044029 4.009584 3.976887 3.945769 3.916085 3.887709 3.86053 3.833053 3.804738 3.775532 3.745376 3.714209 3.681958 3.648547 3.613887 3.577884 3.540427 3.501395 3.46065 3.418034 3.373366 3.32644 3.277015 3.22481 3.169493 3.110669 3.047864 2.980499 2.907861 2.829052 2.742926 2.647984 2.542214 2.422823 2.285778 2.124936 1.93026 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 5.79079e-10 5.402786e-10 5.162317e-10 4.987604000000001e-10 4.8503e-10 4.737177e-10 4.64098e-10 4.5572970000000005e-10 4.483243e-10 4.4168300000000005e-10 4.3566269999999995e-10 4.301571e-10 4.250852e-10 4.203835e-10 4.160018e-10 4.1189910000000007e-10 4.0804200000000004e-10 4.044029e-10 4.0095840000000004e-10 3.976887e-10 3.945769e-10 3.916085e-10 3.887709e-10 3.86053e-10 3.833053e-10 3.804738e-10 3.7755320000000004e-10 3.745376e-10 3.714209e-10 3.681958e-10 3.6485470000000004e-10 3.6138870000000003e-10 3.577884e-10 3.5404270000000003e-10 3.5013950000000004e-10 3.46065e-10 3.418034e-10 3.373366e-10 3.32644e-10 3.2770150000000003e-10 3.22481e-10 3.169493e-10 3.1106690000000004e-10 3.0478640000000003e-10 2.980499e-10 2.9078610000000003e-10 2.829052e-10 2.7429260000000004e-10 2.647984e-10 2.542214e-10 2.422823e-10 2.2857780000000002e-10 2.124936e-10 1.9302600000000002e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0 ] ] } "cohesive-potential-energy" { "source-value" [ 0 0 0 0 0 0 0 0 0.107864 0.734152 1.74946 2.3128 2.75909 3.12047 3.40551 3.62414 3.7865 3.90226 3.98018 4.02795 4.05341 4.06974 4.07935 4.08249 4.07908 4.06799 4.04776 4.0166 3.97237 3.91249 3.8338 3.73242 3.60358 3.44136 3.23837 2.98528 2.67025 2.27808 1.78911 1.17753 0.409094 -0.565478 -1.83429 -3.51238 -5.75022 -8.74125 -12.7314 -18.0951 -25.6375 -36.7968 -54.8091 -83.9065 -133.633 -232.118 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1.72817180449776e-20 1.176241180204368e-19 2.80294393411764e-19 3.7055141191152e-19 4.42054952910306e-19 4.99954412109798e-19 5.456228548853339e-19 5.80651242634476e-19 6.066641824641e-19 6.252109791792839e-19 6.37695139511412e-19 6.453487372920299e-19 6.49427879002194e-19 6.52044233445516e-19 6.5358392519079e-19 6.54087008653866e-19 6.53540666421672e-19 6.51763852534566e-19 6.48522649203984e-19 6.435302668124401e-19 6.36443839560258e-19 6.268500058758659e-19 6.1424247794292e-19 5.97999611227428e-19 5.77357167474972e-19 5.513666581182239e-19 5.18844074624658e-19 4.78294586194752e-19 4.2782121569384995e-19 3.64988654638272e-19 2.8664702376557396e-19 1.8866110518340197e-19 6.55440847909596e-20 -9.05995638641052e-20 -2.93885657797986e-19 -5.62745316572892e-19 -9.212868124359479e-19 -1.40050265019525e-18 -2.03979515981076e-18 -2.8991546409893396e-18 -4.107580345417499e-18 -5.895497316597119e-18 -8.781385935056939e-18 -1.3443303374072099e-17 -2.14103670131322e-17 -3.7189403593081197e-17 ] } }