{ "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" [ 1.24559 1.77959 2.18959 2.52433 2.80622 3.04799 3.25777 3.44115 3.6022 3.74399 3.86305 3.95204 4.03397 4.11127 4.18142 4.24273 4.29493 4.33858 4.37426 4.40252 4.42382 4.43859 4.4472 4.45 4.44865 4.44421 4.43599 4.42313 4.40451 4.37868 4.34377 4.29723 4.23562 4.15415 4.04592 3.89945 3.70019 3.42432 3.02912 2.43479 1.47632 -0.254066 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.995655177102272e-19 2.851217492609472e-19 3.508109907137472e-19 4.0444225091840644e-19 4.496060076821377e-19 4.883418318432192e-19 5.219522929943616e-19 5.51333007866592e-19 5.77136062344576e-19 5.998533246508993e-19 6.18928839498144e-19 6.331866092466433e-19 6.463132423008576e-19 6.586980675796417e-19 6.699373365745537e-19 6.797602814366784e-19 6.881236433972544e-19 6.951171443470465e-19 7.008337105300608e-19 7.053614616604417e-19 7.087740978627456e-19 7.111405127316672e-19 7.125199868021759e-19 7.129685962560001e-19 7.12752302412192e-19 7.120409359925568e-19 7.107239468102593e-19 7.086635476759104e-19 7.0568029480798085e-19 7.015418725964545e-19 6.959486740132417e-19 6.884921440200384e-19 6.786211338592897e-19 6.65568200929632e-19 6.482278433627136e-19 6.24760762397856e-19 5.928357910517953e-19 5.486365446137856e-19 4.853185245597696e-19 3.900963614557632e-19 2.3653253888194563e-19 -4.070586053401729e-20 ] } }