{ "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" [ 6.28265 5.861689 5.600793 5.411239 5.262273 5.139541 5.035173 4.944381 4.864037 4.791983 4.726666 4.666934 4.611907 4.560896 4.513357 4.468845 4.426998 4.387516 4.350145 4.31467 4.28091 4.248704 4.217918 4.18843 4.158619 4.127899 4.096212 4.063496 4.029682 3.994692 3.958443 3.92084 3.881778 3.84114 3.798794 3.754588 3.708352 3.659891 3.60898 3.555357 3.498718 3.438702 3.374883 3.306744 3.233657 3.15485 3.069347 2.975906 2.872901 2.758148 2.628617 2.479932 2.30543 2.09422 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 6.28265e-10 5.861689e-10 5.600793000000001e-10 5.411239e-10 5.262273e-10 5.139541e-10 5.035173e-10 4.944381e-10 4.864037e-10 4.791983e-10 4.726666e-10 4.666934e-10 4.6119070000000005e-10 4.560896e-10 4.5133570000000004e-10 4.468845e-10 4.426998e-10 4.387516e-10 4.3501450000000007e-10 4.31467e-10 4.280910000000001e-10 4.2487040000000003e-10 4.217918e-10 4.1884300000000005e-10 4.158619e-10 4.1278990000000005e-10 4.0962120000000005e-10 4.0634959999999997e-10 4.0296820000000005e-10 3.994692e-10 3.9584430000000003e-10 3.9208400000000004e-10 3.881778e-10 3.84114e-10 3.798794e-10 3.754588e-10 3.708352e-10 3.659891e-10 3.60898e-10 3.555357e-10 3.4987180000000006e-10 3.4387020000000004e-10 3.374883e-10 3.306744e-10 3.233657e-10 3.15485e-10 3.069347e-10 2.9759060000000004e-10 2.8729010000000003e-10 2.758148e-10 2.6286170000000004e-10 2.479932e-10 2.3054299999999999e-10 2.09422e-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" [ 4.83348e-06 0.168692 0.576692 0.877371 1.07696 1.28046 1.5248 1.79282 2.14812 2.88772 3.69001 4.45561 5.12993 5.67079 6.09637 6.43323 6.70403 6.92161 7.08936 7.21302 7.29917 7.35413 7.38342 7.39191 7.38495 7.36637 7.33877 7.30441 7.26547 7.22011 7.15983 7.0735 6.94719 6.76369 6.51049 6.19411 5.82765 5.42913 5.0215 4.61143 4.17426 3.63843 2.88631 1.67359 -0.516018 -4.47473 -11.2463 -22.0797 -38.6916 -64.8058 -107.995 -177.743 -291.007 -489.544 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 7.744088716906319e-25 2.70274380742728e-20 9.239624474147279e-20 1.405703315549214e-19 1.7254801477526397e-19 2.0515230927716397e-19 2.4429989315231996e-19 2.87241431296788e-19 3.4416676710280797e-19 4.626637509534479e-19 5.91204780122634e-19 7.13867423221674e-19 8.2190539800556195e-19 9.08560723432086e-19 9.76746156621858e-19 1.030717078714782e-18 1.074104021963502e-18 1.108964181166074e-18 1.1358406942014239e-18 1.155653210457468e-18 1.1694559621593779e-18 1.1782615249398418e-18 1.182954300300828e-18 1.184314548263094e-18 1.18319943332583e-18 1.180222589139858e-18 1.1758005816300179e-18 1.1702955027155939e-18 1.1640566269027978e-18 1.156789153690974e-18 1.1471312329412219e-18 1.1332996420599e-18 1.1130625489958458e-18 1.083662607761946e-18 1.043095495389066e-18 9.92405831042574e-19 9.3369246611301e-19 8.69842522894842e-19 8.0453299676309985e-19 7.3883253953266205e-19 6.68790183624084e-19 5.829407530444619e-19 4.624378440480539e-19 2.6813867928960597e-19 -8.267519823234119e-20 -7.16930784945882e-19 -1.80185590789542e-18 -3.53755794257298e-18 -6.19907774520744e-18 -1.038303385076772e-17 -1.7302706558883e-17 -2.8477568145706196e-17 -4.6624461573043796e-17 -7.84335958114896e-17 ] } }