{ "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" [ 1.25991 1.84176 2.25387 2.57937 2.84956 3.07966 3.27847 3.45171 3.60342 3.73666 3.85377 3.95663 4.04674 4.12536 4.19353 4.25212 4.30192 4.34356 4.37762 4.4046 4.42496 4.43908 4.44732 4.45 4.44871 4.44445 4.43657 4.42422 4.40632 4.38149 4.34787 4.30301 4.24353 4.16475 4.05991 3.91905 3.72677 3.45821 3.07056 2.48364 1.5288 -0.218111 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 2.0185983463121282e-19 2.950824813124608e-19 3.611097820322496e-19 4.1326063103928963e-19 4.565498411566848e-19 4.934159252012929e-19 5.252687985994176e-19 5.530249063781568e-19 5.773315278923136e-19 5.986789291878529e-19 6.174420195940417e-19 6.339220083155904e-19 6.483592218456192e-19 6.609555344383488e-19 6.718775724623424e-19 6.812647252836096e-19 6.892435648551936e-19 6.9591502830420485e-19 7.013720418746497e-19 7.056947143975681e-19 7.089567459975168e-19 7.112190193860864e-19 7.125392129216257e-19 7.129685962560001e-19 7.127619154719169e-19 7.12079388231456e-19 7.108168730542656e-19 7.088381849275776e-19 7.059702887763456e-19 7.019920842268993e-19 6.966055664277697e-19 6.894182021068608e-19 6.798884555663424e-19 6.6726650814768e-19 6.504692884552129e-19 6.2790102857462405e-19 5.970943765098816e-19 5.540663211816768e-19 4.919579444763648e-19 3.979229942483712e-19 2.44940761787904e-19 -3.494523449393088e-20 ] } }