{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "diamond" ] } "species" { "source-value" [ "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" ] } "a" { "source-value" [ 8.26638 7.712502 7.369231 7.119826 6.923823 6.76234 6.625018 6.505559 6.399847 6.305042 6.219102 6.14051 6.068108 6.000991 5.938441 5.879874 5.824815 5.772866 5.723695 5.67702 5.6326 5.590226 5.549718 5.51092 5.484507 5.456708 5.427371 5.396314 5.363323 5.328142 5.290459 5.249889 5.205956 5.158049 5.105378 5.04689 4.981137 4.906057 4.818559 4.713704 4.582859 4.40874 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.26638e-10 7.712502e-10 7.369231e-10 7.119826e-10 6.923823e-10 6.76234e-10 6.625018e-10 6.505559e-10 6.399847e-10 6.305042e-10 6.219102e-10 6.14051e-10 6.068107999999999e-10 6.000991e-10 5.938441000000001e-10 5.879874000000001e-10 5.824815e-10 5.772866e-10 5.723695e-10 5.67702e-10 5.6326e-10 5.590226000000001e-10 5.549718000000001e-10 5.51092e-10 5.484507e-10 5.456708e-10 5.427371e-10 5.396314000000001e-10 5.363323000000001e-10 5.328142e-10 5.290459000000001e-10 5.249889e-10 5.205956e-10 5.158049e-10 5.105378e-10 5.04689e-10 4.981137000000001e-10 4.906057e-10 4.818559e-10 4.713704e-10 4.582859e-10 4.40874e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0.5 0 ] [ 0.5 0 0.5 ] [ 0.75 0.25 0.75 ] [ 0.25 0.25 0.25 ] [ 0.25 0.75 0.75 ] [ 0.75 0.75 0.25 ] ] } "cohesive-potential-energy" { "source-value" [ 0.501068 0.731439 0.91371 1.08768 1.27904 1.44989 1.57545 1.67288 1.75841 1.83682 1.90907 1.97607 2.03879 2.09764 2.15235 2.20219 2.24635 2.28425 2.31559 2.34041 2.35898 2.3717 2.37901 2.38136 2.38025 2.37662 2.36997 2.35965 2.34485 2.3245 2.29724 2.26122 2.214 2.15226 2.07139 1.96481 1.8227 1.62964 1.35979 0.960407 0.31096 -0.889345 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 8.027994416451119e-20 1.1718944749963258e-19 1.46392481225214e-19 1.7426554812691198e-19 2.0492480019513597e-19 2.3229798798702596e-19 2.5241491780353e-19 2.68024924748592e-19 2.81728341499194e-19 2.9429100848638796e-19 3.05866734667038e-19 3.1660131811483796e-19 3.26650169963286e-19 3.36078979454376e-19 3.4484448781899e-19 3.5282973616284593e-19 3.5990494817859e-19 3.6597719762144998e-19 3.7099841919240595e-19 3.7497502159799397e-19 3.7795026360733196e-19 3.7998823228578e-19 3.81159423405234e-19 3.8153593491422395e-19 3.8135809330785e-19 3.80776503189708e-19 3.79711055728098e-19 3.7805760944180993e-19 3.7568638802348997e-19 3.7242595857329996e-19 3.6805842506901595e-19 3.6228738483334796e-19 3.5472190676759995e-19 3.44830068229284e-19 3.31873265790126e-19 3.14797267224954e-19 2.9202873507917996e-19 2.6109711298317596e-19 2.17862376514686e-19 1.538741654530038e-19 4.9821284610864e-20 -1.42488777856473e-19 ] } }