{ "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" [ "Nb" "Nb" "Nb" "Nb" ] } "a" { "source-value" [ 6.25227 5.833345 5.573712 5.385074 5.236828 5.11469 5.010827 4.920475 4.840519 4.768814 4.703813 4.64437 4.589608 4.538845 4.491535 4.447238 4.405594 4.366303 4.329113 4.29381 4.260212 4.228163 4.197525 4.16818 4.148202 4.127177 4.104987 4.081497 4.056544 4.029935 4.001433 3.970748 3.937519 3.901284 3.861446 3.817208 3.767476 3.710689 3.644509 3.565201 3.466236 3.33454 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 6.25227e-10 5.833345e-10 5.573712000000001e-10 5.385074e-10 5.236828000000001e-10 5.114690000000001e-10 5.010827e-10 4.920475e-10 4.840519e-10 4.768814e-10 4.703813000000001e-10 4.6443700000000003e-10 4.5896080000000003e-10 4.5388450000000003e-10 4.491535e-10 4.4472379999999996e-10 4.405594e-10 4.3663030000000007e-10 4.3291130000000006e-10 4.29381e-10 4.260212e-10 4.2281630000000005e-10 4.197525e-10 4.1681800000000005e-10 4.1482020000000003e-10 4.127177e-10 4.1049870000000003e-10 4.081497e-10 4.056544e-10 4.029935e-10 4.001433e-10 3.970748e-10 3.937519e-10 3.9012840000000003e-10 3.861446e-10 3.817208e-10 3.767476e-10 3.710689e-10 3.6445090000000005e-10 3.565201e-10 3.466236e-10 3.33454e-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" [ 2.23879 3.12031 3.78092 4.31126 4.75207 5.12603 5.44746 5.74584 5.99021 6.2038 6.39075 6.55425 6.69693 6.82092 6.92803 7.01977 7.09745 7.16219 7.21496 7.25663 7.28797 7.30963 7.32224 7.32633 7.32437 7.31791 7.30597 7.28733 7.26038 7.22309 7.17277 7.10587 7.01752 6.90102 6.74676 6.54067 6.26124 5.87403 5.32042 4.49231 3.16633 0.794807 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 3.586936996880832e-19 4.999287731648448e-19 6.057701629115136e-19 6.907399978190208e-19 7.613655454405056e-19 8.212805423519425e-19 8.727793054743168e-19 9.205850514857473e-19 9.597374415682369e-19 9.939583320119041e-19 1.02391102393776e-18 1.05010661168784e-18 1.0729664677134146e-18 1.0928318556347137e-18 1.1099927694201024e-18 1.1246911377393217e-18 1.1371368457296961e-18 1.1475093371727552e-18 1.1559640232007167e-18 1.1626402931795906e-18 1.1676615147091775e-18 1.1711318292698305e-18 1.1731521739886593e-18 1.1738074642265664e-18 1.1734934376088898e-18 1.1724584315118529e-18 1.1705454326266177e-18 1.1675589754054465e-18 1.1632411094123903e-18 1.1572665927934273e-18 1.1492044400375616e-18 1.1384858784444097e-18 1.1243306479996418e-18 1.1056652903673216e-18 1.080950113814861e-18 1.0479308558367936e-18 1.0031612345217793e-18 9.411233535877825e-19 8.524252536836737e-19 7.197474055386048e-19 5.073019899737664e-19 1.2734211934481858e-19 ] } }