**************************************************************************************************** Average of energy (eV atom^-1) ---------------------------------------------------------------------------------------------------- -7.01823043 **************************************************************************************************** Average of force (X Y Z) (eV ang^-1 atom^-1) ---------------------------------------------------------------------------------------------------- -0.00000112 -0.00000248 0.00000040 **************************************************************************************************** Average of stress (XX YY ZZ XY XZ YZ) (GPa atom^-1) ---------------------------------------------------------------------------------------------------- 0.08118263 -0.02570969 -0.05438693 0.02366330 -0.02243080 0.02617410 **************************************************************************************************** Variance of energy (eV atom^-1) ---------------------------------------------------------------------------------------------------- 0.41799503 **************************************************************************************************** Variance of force (X Y Z) (eV ang^-1 atom^-1) ---------------------------------------------------------------------------------------------------- 0.02745504 0.02753774 0.02934698 **************************************************************************************************** Variance of stress (XX YY ZZ XY XZ YZ) (GPa atom^-1) ---------------------------------------------------------------------------------------------------- 0.42604169 0.41526446 0.43142351 0.28609158 0.21403641 0.23419750 **************************************************************************************************** Normalized histogram X, HIS_E, HIS_F, HIS_S ---------------------------------------------------------------------------------------------------- -3.00000000 0.00000000 0.00613313 0.00631264 0.00562453 0.00792393 0.00792393 0.00633914 0.01743265 0.01584786 0.00316957 -2.70000000 0.00000000 0.00385939 0.00350037 0.00338070 0.00633914 0.01109350 0.01109350 0.00950872 0.00633914 0.00792393 -2.40000000 0.00000000 0.00427823 0.00403889 0.00367988 0.00633914 0.00792393 0.00950872 0.01109350 0.01109350 0.01584786 -2.10000000 0.00000000 0.00508601 0.00547494 0.00445774 0.00950872 0.00950872 0.02694136 0.00950872 0.01267829 0.02535658 -1.80000000 0.06339144 0.00517577 0.00502618 0.00553478 0.01901743 0.03645008 0.03169572 0.01743265 0.01901743 0.01901743 -1.50000000 0.04595880 0.00637248 0.00589379 0.00625280 0.02694136 0.03803487 0.03961965 0.01901743 0.02535658 0.02218700 -1.20000000 0.00000000 0.00903515 0.00951384 0.01056096 0.03328051 0.04595880 0.03486529 0.01267829 0.03645008 0.03169572 -0.90000000 0.00000000 0.02890052 0.03087509 0.03440539 0.03169572 0.04278922 0.03961965 0.03645008 0.03486529 0.03645008 -0.60000000 0.00000000 0.12762902 0.12783844 0.12170531 0.06814580 0.04278922 0.04120444 0.06656101 0.06022187 0.07765452 -0.30000000 0.43898574 0.29184742 0.29011219 0.29477936 0.46117274 0.11251981 0.05229794 0.46434231 0.06339144 0.48652932 0.00000000 0.39144216 0.29029170 0.29017203 0.28691099 0.08716323 0.42630745 0.48177496 0.11093502 0.52297940 0.04595880 0.30000000 0.01584786 0.12783844 0.12724009 0.12347046 0.04754358 0.07290016 0.05388273 0.03328051 0.03169572 0.02852615 0.60000000 0.00000000 0.03048616 0.03015707 0.03437547 0.04595880 0.03645008 0.03803487 0.04120444 0.03328051 0.04120444 0.90000000 0.00000000 0.00885565 0.00912491 0.01077038 0.04278922 0.03169572 0.02852615 0.03645008 0.02852615 0.03803487 1.20000000 0.00000000 0.00553478 0.00568437 0.00565445 0.02377179 0.01426307 0.02535658 0.02852615 0.02694136 0.02060222 1.50000000 0.00000000 0.00436799 0.00475692 0.00493642 0.03011094 0.01267829 0.02852615 0.02218700 0.01743265 0.03011094 1.80000000 0.00000000 0.00499626 0.00436799 0.00460733 0.01426307 0.00633914 0.02694136 0.03011094 0.01267829 0.03169572 2.10000000 0.00000000 0.00418848 0.00427823 0.00421840 0.00792393 0.01267829 0.00475436 0.00792393 0.02377179 0.01426307 2.40000000 0.00000000 0.00335079 0.00409873 0.00326103 0.00475436 0.00633914 0.00475436 0.01267829 0.00475436 0.00950872 2.70000000 0.00000000 0.00353029 0.00341062 0.00350037 0.00316957 0.00316957 0.00475436 0.00475436 0.00158479 0.00950872