{ "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" [ "Ni" "Ni" "Ni" "Ni" ] } "a" { "source-value" [ 5.28 4.92622 4.706962 4.547659 4.422466 4.319322 4.23161 4.155308 4.087786 4.027231 3.972338 3.922139 3.875893 3.833024 3.793071 3.755663 3.720495 3.687313 3.655906 3.626094 3.597721 3.570655 3.544782 3.52 3.503129 3.485373 3.466634 3.446797 3.425725 3.403253 3.379184 3.353271 3.325209 3.294609 3.260967 3.223608 3.18161 3.133653 3.077765 3.010791 2.927216 2.816 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 5.28e-10 4.92622e-10 4.706962e-10 4.5476590000000006e-10 4.422466e-10 4.319322e-10 4.23161e-10 4.155308e-10 4.0877860000000003e-10 4.027231e-10 3.972338e-10 3.9221390000000004e-10 3.8758930000000004e-10 3.833024e-10 3.793071e-10 3.7556630000000004e-10 3.720495e-10 3.6873130000000003e-10 3.655906e-10 3.626094e-10 3.597721e-10 3.570655e-10 3.5447820000000005e-10 3.52e-10 3.503129e-10 3.4853730000000004e-10 3.466634e-10 3.446797e-10 3.425725e-10 3.403253e-10 3.379184e-10 3.3532710000000003e-10 3.3252090000000003e-10 3.294609e-10 3.260967e-10 3.223608e-10 3.18161e-10 3.133653e-10 3.077765e-10 3.0107910000000003e-10 2.927216e-10 2.816e-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" [ 0.407704 0.88788 1.50483 2.11298 2.58329 2.92029 3.17027 3.37082 3.53657 3.67519 3.79217 3.8932 3.98332 4.06606 4.14203 4.2103 4.27 4.32083 4.36299 4.39651 4.42137 4.43799 4.44718 4.45 4.44871 4.44447 4.43669 4.4247 4.40749 4.38332 4.34974 4.30338 4.23941 4.1509 4.02872 3.86128 3.63412 3.32957 2.92526 2.38316 1.63797 0.849243 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 6.53213822388336e-20 1.42254058979592e-19 2.41100346414222e-19 3.3853671841093195e-19 4.1388868768458594e-19 4.67882040250386e-19 5.07933251747118e-19 5.40064904141988e-19 5.66620981850538e-19 5.88830354351046e-19 6.075726166155779e-19 6.2375940714888e-19 6.38198222974488e-19 6.51454632444204e-19 6.63626368332702e-19 6.7456442821302e-19 6.841294227179999e-19 6.92273286548622e-19 6.990280632375659e-19 7.043985593147339e-19 7.083815704268579e-19 7.11044387992566e-19 7.1251678831921205e-19 7.1296860213e-19 7.1276192134421395e-19 7.120825984513979e-19 7.108361050301459e-19 7.089150952459799e-19 7.06157749258866e-19 7.02285288334488e-19 6.969051791975159e-19 6.894774883222919e-19 6.79228364394594e-19 6.6504749900706e-19 6.454721048928479e-19 6.186452593331519e-19 5.82250214915208e-19 5.33455925526738e-19 4.68678322037484e-19 3.81824326708344e-19 2.6243172611929795e-19 1.360637291188062e-19 ] } }