{ "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" [ "Si" "Si" "Si" "Si" ] } "a" { "source-value" [ 5.91575 5.519372 5.273713 5.095229 4.954962 4.839397 4.741124 4.655635 4.579983 4.512136 4.450634 4.39439 4.342576 4.294545 4.249781 4.207869 4.168466 4.13129 4.096101 4.062698 4.030909 4.000584 3.971596 3.94383 3.924928 3.905034 3.884038 3.861813 3.838203 3.813026 3.786058 3.757025 3.725584 3.6913 3.653606 3.611749 3.564693 3.510963 3.448345 3.373306 3.279668 3.15506 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 5.91575e-10 5.519372e-10 5.273713e-10 5.095229e-10 4.954962e-10 4.839397e-10 4.741124000000001e-10 4.655635e-10 4.5799830000000005e-10 4.512136e-10 4.450634e-10 4.39439e-10 4.342576e-10 4.2945450000000004e-10 4.249781e-10 4.207869e-10 4.1684659999999996e-10 4.13129e-10 4.0961010000000003e-10 4.062698e-10 4.0309090000000003e-10 4.000584e-10 3.9715960000000003e-10 3.94383e-10 3.924928e-10 3.9050340000000005e-10 3.884038e-10 3.861813e-10 3.838203e-10 3.813026e-10 3.786058e-10 3.7570250000000003e-10 3.725584e-10 3.6913e-10 3.653606e-10 3.611749e-10 3.5646930000000005e-10 3.510963e-10 3.448345e-10 3.373306e-10 3.279668e-10 3.1550600000000005e-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" [ 0 0 0 0 0 0 0 0 0 0 0 0 0 0.0467625 0.508582 1.24417 2.01069 2.6749 3.19044 3.55734 3.79612 3.93429 3.99954 4.01653 4.01064 3.99505 3.97329 3.94515 3.90829 3.86055 3.79905 3.71997 3.61804 3.48593 3.31306 3.08376 2.77377 2.34379 1.72579 0.791962 -0.727949 -3.517 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 7.492178423016e-21 8.148381901597056e-20 1.9933800863007362e-19 3.221480509676352e-19 4.2856622429779205e-19 5.111648378065153e-19 5.699486980236672e-19 6.082054713751297e-19 6.303427457447232e-19 6.407969481954432e-19 6.435190462741825e-19 6.425753642445313e-19 6.40077570892704e-19 6.365912345658433e-19 6.32082709554912e-19 6.261770865306433e-19 6.185282953429441e-19 6.08674909125024e-19 5.960048964077376e-19 5.796739101119232e-19 5.585075547745345e-19 5.308107275307648e-19 4.940728176158208e-19 4.444069445476416e-19 3.755165542064832e-19 2.7650203904104322e-19 1.2688630009620098e-19 -1.1663028689347393e-19 -5.6348551753536e-19 ] } }