{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "bcc" ] } "species" { "source-value" [ "Fe" "Fe" ] } "a" { "source-value" [ 4.24447 3.960075 3.783819 3.65576 3.55512 3.472205 3.401695 3.340358 3.286079 3.2374 3.193273 3.15292 3.115744 3.081282 3.049165 3.019094 2.990823 2.964149 2.938902 2.914936 2.892128 2.87037 2.849571 2.82965 2.816088 2.801814 2.786751 2.770804 2.753864 2.7358 2.716451 2.69562 2.673062 2.648463 2.621419 2.591387 2.557625 2.519075 2.474147 2.420308 2.353124 2.26372 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 4.24447e-10 3.960075e-10 3.783819e-10 3.65576e-10 3.55512e-10 3.472205e-10 3.401695e-10 3.340358e-10 3.286079e-10 3.2374e-10 3.193273e-10 3.15292e-10 3.115744e-10 3.081282e-10 3.049165e-10 3.019094e-10 2.9908229999999997e-10 2.964149e-10 2.938902e-10 2.914936e-10 2.892128e-10 2.87037e-10 2.849571e-10 2.82965e-10 2.816088e-10 2.801814e-10 2.7867510000000005e-10 2.770804e-10 2.753864e-10 2.7358e-10 2.7164510000000003e-10 2.69562e-10 2.673062e-10 2.6484630000000003e-10 2.621419e-10 2.591387e-10 2.5576249999999997e-10 2.519075e-10 2.474147e-10 2.420308e-10 2.3531240000000003e-10 2.2637200000000003e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ 0.482757 1.02328 1.66303 2.47839 2.96832 3.18747 3.32243 3.42879 3.54016 3.65956 3.77804 3.88456 3.97413 4.04843 4.11162 4.16661 4.21545 4.25833 4.29509 4.32513 4.34817 4.36413 4.37306 4.37557 4.37433 4.37028 4.3627 4.35067 4.33312 4.30789 4.27323 4.23092 4.18507 4.13986 4.08733 4.00764 3.87341 3.6651 3.29732 2.64442 1.97515 -5.31129 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 7.734619852999379e-20 1.6394753060395198e-19 2.66446780764102e-19 3.97081854793926e-19 4.755772946234879e-19 5.10688995557598e-19 5.32311971410062e-19 5.493527220892859e-19 5.67196163262144e-19 5.86326152272104e-19 6.053087410317359e-19 6.223751265371039e-19 6.367258226478419e-19 6.486299950384619e-19 6.58754149188708e-19 6.67564518499074e-19 6.753895491795299e-19 6.822596825861219e-19 6.88149283892706e-19 6.929622225012419e-19 6.966536374659779e-19 6.99210711373842e-19 7.006414551080039e-19 7.010436014431379e-19 7.008449315405219e-19 7.00196050003752e-19 6.9898160011518e-19 6.970541816244779e-19 6.94242361631808e-19 6.90200069984226e-19 6.84646925770782e-19 6.77868116432328e-19 6.705221365654379e-19 6.632786960031239e-19 6.548624621447219e-19 6.42094716548376e-19 6.20588699590194e-19 5.872137581273399e-19 5.28288905882088e-19 4.23682793448228e-19 3.1645391786450997e-19 -8.509624734397859e-19 ] } }