{ "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" [ "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" ] } "a" { "source-value" [ 10.647 9.933608 9.491476 9.170243 8.917793 8.709803 8.532933 8.379071 8.242914 8.120806 8.010115 7.908889 7.815635 7.729189 7.648625 7.573192 7.502275 7.435366 7.372034 7.311916 7.254703 7.200126 7.147952 7.09798 7.06396 7.028156 6.990369 6.950368 6.907876 6.862563 6.814027 6.761775 6.705189 6.643485 6.575645 6.500312 6.415623 6.318921 6.206224 6.071171 5.902644 5.67838 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 1.0647e-09 9.933608e-10 9.491476e-10 9.170242999999999e-10 8.917793e-10 8.709803000000001e-10 8.532933e-10 8.379071e-10 8.242914000000001e-10 8.120806e-10 8.010115000000001e-10 7.908889e-10 7.815635e-10 7.729189e-10 7.648625000000001e-10 7.573192e-10 7.502275e-10 7.435366000000001e-10 7.372034e-10 7.311916e-10 7.254703000000001e-10 7.200126e-10 7.147952000000001e-10 7.09798e-10 7.06396e-10 7.028156e-10 6.990369e-10 6.950368e-10 6.907876e-10 6.862563e-10 6.814027000000001e-10 6.761775000000001e-10 6.705189e-10 6.643485e-10 6.575645e-10 6.500312e-10 6.415623e-10 6.318921e-10 6.206224e-10 6.071171e-10 5.902643999999999e-10 5.67838e-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" [ 0.277757 0.36852 0.432566 0.481794 0.521423 0.554252 0.581963 0.605778 0.626271 0.644029 0.659471 0.672906 0.684581 0.694692 0.703402 0.710844 0.717134 0.722368 0.726629 0.729989 0.732514 0.734258 0.735273 0.735602 0.735443 0.734925 0.733966 0.732468 0.730305 0.727312 0.723274 0.717905 0.710817 0.70147 0.689095 0.67256 0.650138 0.619061 0.574613 0.508088 0.401482 0.210586 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 4.450157716635456e-20 5.904341282972161e-20 6.930471321529729e-20 7.719190828417152e-20 8.354117401473984e-20 8.880095964316416e-20 9.324075127706305e-20 9.705633489949825e-20 1.0033967544850369e-19 1.0318482069172032e-19 1.056589018295597e-19 1.0781142611960449e-19 1.096819673243885e-19 1.1130192810567937e-19 1.1269742394239616e-19 1.1388976378359552e-19 1.1489753287807873e-19 1.1573611212140545e-19 1.1641879957952832e-19 1.1695713092411712e-19 1.1736168052086913e-19 1.1764110012353663e-19 1.1780372105054785e-19 1.1785643266137216e-19 1.1783095805310143e-19 1.1774796530414402e-19 1.1759431656620928e-19 1.1735431050841345e-19 1.1700775970533442e-19 1.1652822824272897e-19 1.1588126932324992e-19 1.1502106069554242e-19 1.1388543790671936e-19 1.1238788341925761e-19 1.1040518985101762e-19 1.0775599080852481e-19 1.0416359038936704e-19 9.918450610490688e-20 9.206315146077505e-20 8.140467149090304e-20 6.432450740720256e-20 3.373959658677888e-20 ] } }