**************************************************************************************************** Average of energy (eV atom^-1) ---------------------------------------------------------------------------------------------------- -5.81583628 **************************************************************************************************** Average of force (X Y Z) (eV ang^-1 atom^-1) ---------------------------------------------------------------------------------------------------- 0.00000132 0.00000845 0.00000074 **************************************************************************************************** Average of stress (XX YY ZZ XY XZ YZ) (GPa atom^-1) ---------------------------------------------------------------------------------------------------- -0.03817420 -0.11145591 -0.04966041 0.00692700 -0.00178217 -0.01942816 **************************************************************************************************** Variance of energy (eV atom^-1) ---------------------------------------------------------------------------------------------------- 5.46824431 **************************************************************************************************** Variance of force (X Y Z) (eV ang^-1 atom^-1) ---------------------------------------------------------------------------------------------------- 0.04405584 0.07586235 0.15482938 **************************************************************************************************** Variance of stress (XX YY ZZ XY XZ YZ) (GPa atom^-1) ---------------------------------------------------------------------------------------------------- 0.08807287 0.29469553 0.11848834 0.02972823 0.01549319 0.06508625 **************************************************************************************************** Normalized histogram X, HIS_E, HIS_F, HIS_S ---------------------------------------------------------------------------------------------------- -3.00000000 0.00000000 0.00035560 0.00023010 0.00010459 0.04212860 0.03104213 0.02217295 0.00000000 0.01995565 0.01330377 -2.70000000 0.00000000 0.00016734 0.00016734 0.00004184 0.04212860 0.00665188 0.03325942 0.00000000 0.00221729 0.01330377 -2.40000000 0.00000000 0.00043928 0.00008367 0.00004184 0.01552106 0.00886918 0.01995565 0.00000000 0.00886918 0.00665188 -2.10000000 0.00000000 0.00050203 0.00016734 0.00008367 0.00665188 0.00443459 0.00221729 0.00000000 0.01330377 0.00000000 -1.80000000 0.00000000 0.00071121 0.00054386 0.00020918 0.00886918 0.00443459 0.01108647 0.00221729 0.01552106 0.00443459 -1.50000000 0.00000000 0.00127599 0.00056478 0.00023010 0.00443459 0.00665188 0.00443459 0.00443459 0.01995565 0.00443459 -1.20000000 0.00000000 0.00418358 0.00079488 0.00033469 0.00000000 0.00221729 0.00443459 0.03104213 0.02882483 0.00443459 -0.90000000 0.00000000 0.02321884 0.00336778 0.00085763 0.00221729 0.00000000 0.00443459 0.09312639 0.04212860 0.00665188 -0.60000000 0.00000000 0.10603272 0.03930469 0.00374430 0.00221729 0.01995565 0.00443459 0.25498891 0.12195122 0.00000000 -0.30000000 0.89800443 0.36150274 0.45460821 0.49495879 0.01552106 0.00886918 0.01330377 0.35254989 0.17073171 0.01995565 0.00000000 0.00886918 0.36279965 0.45435719 0.49330628 0.35254989 0.20842572 0.29711752 0.14190687 0.17294900 0.44345898 0.30000000 0.01108647 0.10379450 0.03873991 0.00320044 0.40354767 0.65631929 0.54323725 0.02882483 0.17294900 0.39467849 0.60000000 0.00665188 0.02380454 0.00322135 0.00083672 0.08647450 0.00443459 0.01330377 0.00665188 0.09090909 0.04212860 0.90000000 0.01108647 0.00443459 0.00075304 0.00052295 0.00443459 0.00000000 0.00443459 0.00000000 0.04434590 0.00000000 1.20000000 0.00665188 0.00154792 0.00064845 0.00025101 0.00886918 0.00000000 0.00221729 0.00221729 0.02439024 0.00000000 1.50000000 0.00443459 0.00066937 0.00046019 0.00016734 0.00000000 0.00000000 0.00000000 0.00443459 0.01108647 0.00000000 1.80000000 0.00221729 0.00054386 0.00023010 0.00000000 0.00000000 0.00000000 0.00000000 0.00443459 0.01552106 0.00000000 2.10000000 0.00886918 0.00043928 0.00008367 0.00010459 0.00000000 0.00000000 0.00000000 0.00886918 0.00665188 0.00221729 2.40000000 0.00665188 0.00018826 0.00006275 0.00006275 0.00000000 0.00000000 0.00000000 0.01108647 0.00000000 0.00000000 2.70000000 0.01330377 0.00025101 0.00014643 0.00006275 0.00000000 0.00000000 0.00000000 0.00665188 0.00000000 0.00000000