{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "bcc" ] } "species" { "source-value" [ "Fe" "Fe" ] } "a" { "source-value" [ 4.30136 4.013152 3.834533 3.704756 3.602767 3.51874 3.447285 3.385126 3.330119 3.280787 3.236069 3.195174 3.1575 3.122576 3.090028 3.059554 3.030904 3.003872 2.978287 2.953999 2.930885 2.908836 2.887759 2.86757 2.84716 2.826128 2.804434 2.782035 2.758884 2.734929 2.710111 2.684367 2.657624 2.629802 2.600809 2.570544 2.538889 2.505711 2.470855 2.434143 2.395365 2.354276 2.310583 2.263932 2.213895 2.159939 2.101401 2.037428 1.966906 1.888341 1.799659 1.697864 1.578393 1.43379 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 4.30136e-10 4.013152e-10 3.834533e-10 3.7047560000000004e-10 3.602767e-10 3.5187400000000003e-10 3.447285e-10 3.385126e-10 3.330119e-10 3.280787e-10 3.2360690000000003e-10 3.1951740000000005e-10 3.1575e-10 3.1225760000000003e-10 3.0900280000000003e-10 3.059554e-10 3.030904e-10 3.003872e-10 2.978287e-10 2.953999e-10 2.930885e-10 2.908836e-10 2.887759e-10 2.8675700000000003e-10 2.8471600000000004e-10 2.8261280000000003e-10 2.804434e-10 2.782035e-10 2.758884e-10 2.7349290000000005e-10 2.710111e-10 2.684367e-10 2.657624e-10 2.629802e-10 2.600809e-10 2.570544e-10 2.5388890000000005e-10 2.505711e-10 2.470855e-10 2.434143e-10 2.395365e-10 2.354276e-10 2.310583e-10 2.2639320000000002e-10 2.213895e-10 2.1599390000000002e-10 2.1014010000000002e-10 2.037428e-10 1.966906e-10 1.8883410000000002e-10 1.7996589999999999e-10 1.697864e-10 1.578393e-10 1.43379e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ 1.18637 1.69475 2.08494 2.40336 2.67136 2.90106 3.1002 3.27412 3.42669 3.56085 3.67886 3.78257 3.87347 3.95278 4.02154 4.08065 4.13086 4.17283 4.20715 4.23433 4.25482 4.26902 4.27731 4.28 4.27711 4.26776 4.25083 4.22494 4.18848 4.13952 4.07571 3.99424 3.89166 3.76375 3.60533 3.40992 3.16944 2.87365 2.50948 2.06008 1.50339 0.810243 -0.0586021 -1.15697 -2.56172 -4.38901 -6.82205 -10.1652 -14.9534 -22.1986 -34.009 -55.258 -98.605 -201.36 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.9007742932785797e-19 2.7152888504715e-19 3.34044215129196e-19 3.85060723509024e-19 4.2799905730022395e-19 4.64801054583204e-19 4.9670680007268e-19 5.245718560912079e-19 5.490162649961459e-19 5.7051106671789e-19 5.8941835317572395e-19 6.06034527046938e-19 6.20598312649998e-19 6.33305175534252e-19 6.443217420696359e-19 6.5379220815321e-19 6.61836737032524e-19 6.68561072365422e-19 6.7405974257331e-19 6.7841445866452195e-19 6.816973185875879e-19 6.83972409407868e-19 6.853006138374539e-19 6.85731599352e-19 6.852685703047741e-19 6.837705351519839e-19 6.810580501106219e-19 6.769100148051959e-19 6.71068478797632e-19 6.63224221997568e-19 6.53000732896014e-19 6.399477998588159e-19 6.23512671947244e-19 6.0301923062174995e-19 5.776375483859219e-19 5.463294147809279e-19 5.078002710864959e-19 4.6040948842941e-19 4.0206302194903194e-19 3.30061204017072e-19 2.4086963297892597e-19 1.298152402462062e-19 -9.389091532333138e-21 -1.85367030023898e-19 -4.10432792685048e-19 -7.03196926839234e-19 -1.09301291059797e-18 -1.62864459199368e-18 -2.39579880788556e-18 -3.55660782275124e-18 -5.4488425145706e-18 -8.8533076441572e-18 -1.5798262699557e-17 -3.2261428702224e-17 ] } }