{ "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" [ 8.32467 7.766886 7.421194 7.170031 6.972646 6.810024 6.671734 6.551433 6.444976 6.349502 6.262956 6.183809 6.110897 6.043307 5.980315 5.921336 5.865889 5.813573 5.764056 5.717051 5.672318 5.629645 5.588852 5.54978 5.51028 5.469575 5.427589 5.384239 5.339434 5.293071 5.24504 5.195215 5.143457 5.089611 5.0335 4.974926 4.913662 4.84945 4.781991 4.710939 4.635891 4.556369 4.471806 4.381519 4.284678 4.180255 4.066962 3.943151 3.806666 3.654614 3.482982 3.28597 3.054749 2.77489 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.32467e-10 7.766886000000001e-10 7.421194e-10 7.170031e-10 6.972646e-10 6.810024000000001e-10 6.671734e-10 6.551433000000001e-10 6.444976e-10 6.349502e-10 6.262956e-10 6.183809000000001e-10 6.110897e-10 6.043307e-10 5.980315e-10 5.921336e-10 5.865889e-10 5.813573e-10 5.764056e-10 5.717051e-10 5.672318e-10 5.629645e-10 5.588852e-10 5.549780000000001e-10 5.51028e-10 5.469575e-10 5.427589000000001e-10 5.384239e-10 5.339434e-10 5.293071e-10 5.24504e-10 5.195215e-10 5.143457e-10 5.089611e-10 5.0335e-10 4.974926e-10 4.913662000000001e-10 4.84945e-10 4.781991e-10 4.710939e-10 4.635891e-10 4.5563690000000004e-10 4.4718060000000004e-10 4.381519e-10 4.2846780000000004e-10 4.180255e-10 4.0669620000000003e-10 3.943151e-10 3.806666e-10 3.6546140000000003e-10 3.4829819999999997e-10 3.28597e-10 3.0547490000000004e-10 2.7748900000000003e-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" [ -0.661192 -0.418153 -0.192725 0.0250662 0.24394 0.476276 0.754342 1.80946 2.18309 2.37748 2.51257 2.61522 2.69655 2.76238 2.81615 2.86018 2.89613 2.92519 2.94828 2.96611 2.97927 2.98822 2.99335 2.99499 2.99326 2.98775 2.97789 2.96304 2.94243 2.91514 2.88007 2.83591 2.78106 2.71357 2.63102 2.53039 2.40784 2.25849 2.07604 1.85227 1.57631 1.23358 0.804232 0.260826 -0.435327 -1.3399 -2.53485 -4.14401 -6.36029 -9.49497 -14.0725 -21.0266 -32.1523 -51.3384 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ -1.059346372987728e-19 -6.69954966037002e-20 -3.0877949178765e-20 4.01604799431708e-21 3.9083496809796e-20 7.630782785349839e-20 1.2085891264448279e-19 2.89907453215764e-19 3.4976957879190597e-19 3.8091429038023196e-19 4.02558094528938e-19 4.1900443767694794e-19 4.320349402412699e-19 4.425820690228919e-19 4.5119697278391e-19 4.58251356503412e-19 4.640111815026419e-19 4.68667106801046e-19 4.72366532648952e-19 4.75223213587374e-19 4.77331678037718e-19 4.7876562612514795e-19 4.795875427383899e-19 4.79850299706366e-19 4.795731231486839e-19 4.7869032382335e-19 4.771105776622259e-19 4.747313453607359e-19 4.714292593180619e-19 4.67056919283876e-19 4.614380858284379e-19 4.54362873812694e-19 4.455749349752039e-19 4.34761844872338e-19 4.21535876758668e-19 4.05413173290726e-19 3.85778498641056e-19 3.61849990612266e-19 3.3261827792493597e-19 2.96766371385918e-19 2.52552704994054e-19 1.9764130521697198e-19 1.2885217187150879e-19 4.17889322739684e-20 -6.97470747549318e-20 -2.1467564718966e-19 -4.0612774406948997e-19 -6.639435993062339e-19 -1.019030802346386e-18 -1.521261907453098e-18 -2.2546630681965e-18 -3.3688327212464394e-18 -5.151366378935819e-18 -8.22531849069456e-18 ] } }