{ "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" [ "Cr" "Cr" "Cr" "Cr" ] } "a" { "source-value" [ 5.47475 5.107921 4.880575 4.715396 4.585585 4.478636 4.387688 4.308572 4.23856 4.175771 4.118853 4.066802 4.018851 3.9744 3.932974 3.894186 3.85772 3.823315 3.79075 3.759837 3.730417 3.702354 3.675526 3.64983 3.623853 3.597083 3.569471 3.540962 3.511495 3.481005 3.449417 3.41665 3.382611 3.347199 3.310298 3.271777 3.231486 3.189257 3.144893 3.098165 3.04881 2.996512 2.940899 2.881522 2.817834 2.74916 2.674653 2.593228 2.503469 2.403471 2.290597 2.161033 2.00897 1.82492 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 5.47475e-10 5.107921e-10 4.880575000000001e-10 4.715396e-10 4.585585e-10 4.478636e-10 4.387688e-10 4.308572e-10 4.23856e-10 4.1757710000000003e-10 4.1188529999999996e-10 4.066802e-10 4.018851e-10 3.9744e-10 3.932974e-10 3.894186e-10 3.85772e-10 3.823315e-10 3.79075e-10 3.759837e-10 3.730417e-10 3.7023540000000004e-10 3.6755260000000004e-10 3.6498300000000004e-10 3.6238530000000003e-10 3.597083e-10 3.569471e-10 3.5409620000000003e-10 3.511495e-10 3.481005e-10 3.449417e-10 3.4166500000000003e-10 3.382611e-10 3.347199e-10 3.3102980000000003e-10 3.2717770000000004e-10 3.231486e-10 3.1892570000000003e-10 3.1448930000000005e-10 3.098165e-10 3.04881e-10 2.996512e-10 2.940899e-10 2.881522e-10 2.817834e-10 2.74916e-10 2.674653e-10 2.593228e-10 2.503469e-10 2.403471e-10 2.2905970000000002e-10 2.1610330000000003e-10 2.0089700000000002e-10 1.8249200000000002e-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" [ 1.03913 1.48847 1.84165 2.13584 2.38791 2.60744 2.80051 2.97135 3.12303 3.25789 3.37778 3.48416 3.57825 3.66133 3.73403 3.79679 3.85049 3.8957 3.93292 3.96259 3.9851 4.00079 4.01 4.01301 4.00976 3.99921 3.98 3.95049 3.90873 3.85216 3.77748 3.68057 3.55624 3.39797 3.19745 2.94399 2.6238 2.21882 1.70524 1.05115 0.213476 -0.866678 -2.26986 -4.10936 -6.54801 -9.82508 -14.3016 -20.5396 -29.4513 -42.586 -62.7187 -95.1727 -151.08 -256.683 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.66486980568842e-19 2.38479185440998e-19 2.9506485980060997e-19 3.42199294196256e-19 3.82585360609494e-19 4.1775794425569596e-19 4.48691168528334e-19 4.7606275414359e-19 5.00364569328102e-19 5.21971523414226e-19 5.41180019079252e-19 5.582239741117439e-19 5.7329885406105e-19 5.86609737536322e-19 5.98257561665502e-19 6.08312822220486e-19 6.16916510745066e-19 6.2415995130738e-19 6.30123252739128e-19 6.34876910812206e-19 6.3848341041534e-19 6.40997225554086e-19 6.424728302339999e-19 6.429550854008341e-19 6.424343779947839e-19 6.40744081645914e-19 6.37666300332e-19 6.329382770850659e-19 6.26247587461482e-19 6.17184074242944e-19 6.05219019140232e-19 5.896923253801379e-19 5.697724632896159e-19 5.44414813703298e-19 5.1228796783833e-19 4.71679198872966e-19 4.2037910522892e-19 3.5549415590518797e-19 2.73209568336216e-19 1.6841279688291e-19 3.4202625911978395e-20 -1.3885712408018517e-19 -3.6367166544512397e-19 -6.583920572694239e-19 -1.0491068621198339e-18 -1.5741513603180719e-18 -2.29136893488144e-18 -3.29080671917064e-18 -4.7186184700924194e-18 -6.8230294135524e-18 -1.004864356548558e-17 -1.524834761346918e-17 -2.4205684586472002e-17 -4.11251504945022e-17 ] } }