**************************************************************************************************** Average of energy (eV atom^-1) ---------------------------------------------------------------------------------------------------- -5.39306880 **************************************************************************************************** Average of force (X Y Z) (eV ang^-1 atom^-1) ---------------------------------------------------------------------------------------------------- 0.00000100 -0.00000055 -0.00000018 **************************************************************************************************** Average of stress (XX YY ZZ XY XZ YZ) (GPa atom^-1) ---------------------------------------------------------------------------------------------------- 0.14449236 0.21163769 0.14690539 -0.00251149 -0.02120916 0.01169375 **************************************************************************************************** Variance of energy (eV atom^-1) ---------------------------------------------------------------------------------------------------- 0.44723515 **************************************************************************************************** Variance of force (X Y Z) (eV ang^-1 atom^-1) ---------------------------------------------------------------------------------------------------- 0.01720653 0.04758068 0.02537719 **************************************************************************************************** Variance of stress (XX YY ZZ XY XZ YZ) (GPa atom^-1) ---------------------------------------------------------------------------------------------------- 0.14933586 0.20596725 0.12751228 0.04598612 0.02134461 0.04226001 **************************************************************************************************** Normalized histogram X, HIS_E, HIS_F, HIS_S ---------------------------------------------------------------------------------------------------- -3.00000000 0.00000000 0.00394737 0.00131579 0.01184211 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.05263158 -2.70000000 0.00000000 0.00394737 0.00438596 0.00307018 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 -2.40000000 0.00000000 0.00526316 0.00438596 0.00394737 0.05263158 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 -2.10000000 0.00000000 0.00921053 0.00570175 0.00789474 0.05263158 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 -1.80000000 0.00000000 0.01359649 0.00789474 0.00701754 0.05263158 0.05263158 0.05263158 0.00000000 0.15789474 0.00000000 -1.50000000 0.05263158 0.02017544 0.01228070 0.02412281 0.00000000 0.10526316 0.05263158 0.00000000 0.05263158 0.00000000 -1.20000000 0.21052632 0.02982456 0.02412281 0.04517544 0.10526316 0.10526316 0.15789474 0.05263158 0.05263158 0.05263158 -0.90000000 0.05263158 0.04956140 0.02982456 0.06096491 0.00000000 0.10526316 0.10526316 0.26315789 0.05263158 0.10526316 -0.60000000 0.10526316 0.11535088 0.07631579 0.10701754 0.05263158 0.05263158 0.05263158 0.15789474 0.05263158 0.21052632 -0.30000000 0.10526316 0.26315789 0.32412281 0.23421053 0.05263158 0.00000000 0.05263158 0.26315789 0.05263158 0.10526316 0.00000000 0.05263158 0.23859649 0.32017544 0.21184211 0.00000000 0.10526316 0.10526316 0.05263158 0.10526316 0.05263158 0.30000000 0.26315789 0.08464912 0.08289474 0.10394737 0.05263158 0.15789474 0.05263158 0.05263158 0.05263158 0.10526316 0.60000000 0.05263158 0.05394737 0.03377193 0.04780702 0.52631579 0.21052632 0.15789474 0.00000000 0.15789474 0.10526316 0.90000000 0.00000000 0.03114035 0.01710526 0.03991228 0.05263158 0.00000000 0.10526316 0.05263158 0.26315789 0.10526316 1.20000000 0.00000000 0.02149123 0.01315789 0.04692982 0.00000000 0.05263158 0.05263158 0.00000000 0.00000000 0.10526316 1.50000000 0.05263158 0.01359649 0.00964912 0.01271930 0.00000000 0.00000000 0.05263158 0.05263158 0.00000000 0.00000000 1.80000000 0.00000000 0.01052632 0.01140351 0.00570175 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 2.10000000 0.00000000 0.00701754 0.00131579 0.00394737 0.00000000 0.05263158 0.00000000 0.00000000 0.00000000 0.00000000 2.40000000 0.00000000 0.00307018 0.00526316 0.00307018 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 2.70000000 0.05263158 0.00350877 0.00263158 0.00043860 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000