{ "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 3.842027 3.822553 3.802001 3.780245 3.757134 3.732489 3.70609 3.67767 3.646894 3.613333 3.576436 3.535463 3.489401 3.436806 3.37551 3.302056 3.210396 3.08842 ] "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 3.842027e-10 3.8225530000000003e-10 3.802001e-10 3.780245e-10 3.7571340000000004e-10 3.7324890000000004e-10 3.70609e-10 3.67767e-10 3.646894e-10 3.613333e-10 3.5764360000000003e-10 3.535463e-10 3.489401e-10 3.436806e-10 3.37551e-10 3.302056e-10 3.210396e-10 3.08842e-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 4.08096 4.0759 4.06649 4.05166 4.03005 3.99986 3.9587 3.90338 3.82944 3.73062 3.59786 3.41755 3.16844 2.81573 2.29846 1.50055 0.172446 -2.38749 ] "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 6.53841875628864e-19 6.5303117425205995e-19 6.515235260394659e-19 6.49147498091244e-19 6.4568519438517e-19 6.40848223127124e-19 6.3425366410158e-19 6.253904229622919e-19 6.135439289304959e-19 5.97711219433308e-19 5.764407224403239e-19 5.475518755526699e-19 5.076400534230959e-19 4.511296813652819e-19 3.6825389061836397e-19 2.4041461481486997e-19 2.7628895182676397e-20 -3.82518069190866e-19 ] } }