{ "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 3.494947 3.469129 3.442499 3.415004 3.386586 3.35718 3.326716 3.295114 3.262286 3.228134 3.192545 3.155393 3.116536 3.075809 3.033023 2.987958 2.940357 2.88992 2.836285 2.77902 2.717597 2.651366 ] "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 3.494947e-10 3.4691290000000004e-10 3.4424990000000005e-10 3.4150040000000003e-10 3.386586e-10 3.3571800000000004e-10 3.326716e-10 3.295114e-10 3.2622860000000004e-10 3.228134e-10 3.192545e-10 3.155393e-10 3.116536e-10 3.075809e-10 3.0330230000000004e-10 2.987958e-10 2.940357e-10 2.88992e-10 2.836285e-10 2.77902e-10 2.717597e-10 2.651366e-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" [ 1.16971 1.73546 2.16099 2.5036 2.78903 3.03168 3.24062 3.42202 3.58033 3.71889 3.84029 3.94658 4.03938 4.12011 4.18989 4.24971 4.3004 4.34267 4.37715 4.40439 4.42488 4.43906 4.44732 4.45 4.44713 4.43789 4.4212 4.39578 4.36011 4.31239 4.25046 4.17174 4.07308 3.95069 3.79989 3.61495 3.38874 3.11234 2.77443 2.36074 1.85257 1.2257 0.447914 -0.524114 -1.74705 -3.30462 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.87408203055614e-19 2.78051346124164e-19 3.46228768430766e-19 4.0112094208824e-19 4.46851869752502e-19 4.85728685776512e-19 5.192045643673079e-19 5.482680485080679e-19 5.73632106800922e-19 5.958318662416259e-19 6.15282290578386e-19 6.323118260211719e-19 6.47180025184692e-19 6.60114397150974e-19 6.712943857030259e-19 6.80878606327614e-19 6.890000396853599e-19 6.957724403172779e-19 7.0129674535131e-19 7.05661074502326e-19 7.08943934425392e-19 7.112158208924039e-19 7.1253921879208805e-19 7.1296860213e-19 7.125087774360419e-19 7.11028366226226e-19 7.083543334240799e-19 7.04281600420452e-19 6.985666363669739e-19 6.909210494695259e-19 6.80998769575164e-19 6.683864351123159e-19 6.52579360441272e-19 6.32970320617746e-19 6.08809496977026e-19 5.791788423078299e-19 5.429360046701159e-19 4.98651842506356e-19 4.44512691866862e-19 3.7823224669491594e-19 2.96814436684938e-19 1.9637879002938e-19 7.176373448414759e-20 -8.397232043522759e-20 -2.7990826884297e-19 -5.29458494824908e-19 ] } }