**************************************************************************************************** Average of energy (eV atom^-1) ---------------------------------------------------------------------------------------------------- -7.20740581 **************************************************************************************************** Average of force (X Y Z) (eV ang^-1 atom^-1) ---------------------------------------------------------------------------------------------------- -0.00000010 0.00000001 -0.00000047 **************************************************************************************************** Average of stress (XX YY ZZ XY XZ YZ) (GPa atom^-1) ---------------------------------------------------------------------------------------------------- -0.10399596 -0.10323958 -0.11072736 0.00870734 0.01323358 0.00227775 **************************************************************************************************** Variance of energy (eV atom^-1) ---------------------------------------------------------------------------------------------------- 0.10002391 **************************************************************************************************** Variance of force (X Y Z) (eV ang^-1 atom^-1) ---------------------------------------------------------------------------------------------------- 0.02801237 0.03150677 0.02992016 **************************************************************************************************** Variance of stress (XX YY ZZ XY XZ YZ) (GPa atom^-1) ---------------------------------------------------------------------------------------------------- 0.33989580 0.39562239 0.34817978 0.09274632 0.15113359 0.12365301 **************************************************************************************************** Normalized histogram X, HIS_E, HIS_F, HIS_S ---------------------------------------------------------------------------------------------------- -3.00000000 0.00000000 0.00251586 0.00213301 0.00317217 0.00413223 0.00413223 0.00826446 0.01239669 0.00826446 0.01652893 -2.70000000 0.00000000 0.00142201 0.00175016 0.00229709 0.00413223 0.00413223 0.00413223 0.02066116 0.02892562 0.02066116 -2.40000000 0.00000000 0.00142201 0.00185955 0.00224240 0.00000000 0.00413223 0.00000000 0.00826446 0.00413223 0.01239669 -2.10000000 0.00000000 0.00191424 0.00158609 0.00251586 0.01239669 0.01652893 0.00413223 0.01239669 0.00826446 0.00826446 -1.80000000 0.00000000 0.00246117 0.00229709 0.00278932 0.00413223 0.00826446 0.01652893 0.00826446 0.00000000 0.02066116 -1.50000000 0.00000000 0.00399256 0.00432072 0.00377379 0.02066116 0.00000000 0.02479339 0.00826446 0.01239669 0.02479339 -1.20000000 0.00000000 0.01263400 0.01290746 0.01071975 0.02892562 0.01239669 0.01652893 0.01652893 0.02892562 0.02066116 -0.90000000 0.00000000 0.04430103 0.04036316 0.04085539 0.02892562 0.02066116 0.02479339 0.02479339 0.03305785 0.01239669 -0.60000000 0.39669421 0.11255743 0.12076132 0.13919274 0.04958678 0.02479339 0.06611570 0.03719008 0.02066116 0.01239669 -0.30000000 0.39669421 0.30436447 0.30578648 0.28308904 0.04958678 0.04545455 0.05371901 0.60743802 0.60330579 0.35537190 0.00000000 0.13223140 0.30786480 0.29342595 0.28855830 0.40082645 0.65289256 0.43801653 0.04958678 0.07851240 0.31404959 0.30000000 0.01652893 0.11436228 0.12409757 0.13180923 0.30165289 0.09090909 0.26033058 0.02066116 0.00826446 0.02892562 0.60000000 0.00000000 0.03872238 0.04255086 0.04058193 0.01239669 0.02479339 0.02479339 0.04545455 0.02066116 0.03305785 0.90000000 0.00826446 0.01449355 0.01017283 0.01115730 0.02066116 0.02479339 0.01239669 0.02479339 0.02892562 0.02479339 1.20000000 0.00413223 0.00443010 0.00437541 0.00404725 0.00826446 0.00826446 0.00413223 0.02892562 0.02479339 0.02066116 1.50000000 0.00413223 0.00284402 0.00289871 0.00262525 0.01239669 0.01239669 0.00000000 0.02479339 0.01652893 0.02066116 1.80000000 0.00413223 0.00196893 0.00202363 0.00235178 0.00826446 0.00826446 0.00413223 0.02066116 0.02066116 0.01652893 2.10000000 0.00826446 0.00153139 0.00175016 0.00213301 0.00413223 0.00000000 0.00413223 0.00413223 0.02479339 0.01652893 2.40000000 0.00000000 0.00185955 0.00136732 0.00131262 0.00000000 0.00000000 0.00413223 0.00000000 0.00413223 0.00413223 2.70000000 0.00413223 0.00120324 0.00147670 0.00202363 0.00000000 0.00000000 0.00000000 0.00826446 0.00826446 0.00413223