**************************************************************************************************** Average of energy (eV atom^-1) ---------------------------------------------------------------------------------------------------- -7.03524488 **************************************************************************************************** Average of force (X Y Z) (eV ang^-1 atom^-1) ---------------------------------------------------------------------------------------------------- 0.00000229 -0.00000712 0.00000103 **************************************************************************************************** Average of stress (XX YY ZZ XY XZ YZ) (GPa atom^-1) ---------------------------------------------------------------------------------------------------- 0.08846378 -0.02397560 -0.08197725 0.01906701 -0.00673929 0.01691268 **************************************************************************************************** Variance of energy (eV atom^-1) ---------------------------------------------------------------------------------------------------- 0.99214027 **************************************************************************************************** Variance of force (X Y Z) (eV ang^-1 atom^-1) ---------------------------------------------------------------------------------------------------- 0.03906627 0.04045571 0.04612627 **************************************************************************************************** Variance of stress (XX YY ZZ XY XZ YZ) (GPa atom^-1) ---------------------------------------------------------------------------------------------------- 0.39594062 0.34847190 0.59630217 0.40747466 0.25647140 0.22146204 **************************************************************************************************** Normalized histogram X, HIS_E, HIS_F, HIS_S ---------------------------------------------------------------------------------------------------- -3.00000000 0.00000000 0.00701376 0.01052064 0.00701376 0.00925926 0.00925926 0.00000000 0.00000000 0.00925926 0.00000000 -2.70000000 0.00000000 0.00728352 0.00647424 0.00593472 0.00000000 0.00925926 0.00925926 0.00925926 0.00000000 0.00925926 -2.40000000 0.00000000 0.00755328 0.00863232 0.00890208 0.03703704 0.01851852 0.01851852 0.00000000 0.00000000 0.00925926 -2.10000000 0.00000000 0.00809280 0.00836256 0.00755328 0.00000000 0.03703704 0.00925926 0.05555556 0.00925926 0.01851852 -1.80000000 0.00000000 0.01159968 0.01294848 0.00782304 0.00925926 0.03703704 0.04629630 0.04629630 0.00925926 0.02777778 -1.50000000 0.00000000 0.01564607 0.01537632 0.01240896 0.05555556 0.03703704 0.07407407 0.01851852 0.00925926 0.02777778 -1.20000000 0.00000000 0.02427839 0.01537632 0.02050175 0.01851852 0.06481481 0.04629630 0.03703704 0.04629630 0.01851852 -0.90000000 0.54629630 0.02319935 0.02913407 0.02616671 0.06481481 0.01851852 0.08333333 0.02777778 0.03703704 0.04629630 -0.60000000 0.19444444 0.03695711 0.03425951 0.03506879 0.05555556 0.03703704 0.05555556 0.05555556 0.09259259 0.23148148 -0.30000000 0.00000000 0.37226868 0.35500405 0.35878069 0.22222222 0.11111111 0.04629630 0.26851852 0.15740741 0.28703704 0.00000000 0.00000000 0.32856757 0.35068789 0.36525492 0.21296296 0.20370370 0.19444444 0.22222222 0.37962963 0.06481481 0.30000000 0.00000000 0.03291071 0.02832479 0.02724575 0.05555556 0.15740741 0.20370370 0.03703704 0.09259259 0.04629630 0.60000000 0.00000000 0.02508767 0.02508767 0.02131103 0.08333333 0.12962963 0.03703704 0.04629630 0.02777778 0.05555556 0.90000000 0.00000000 0.01645535 0.01861343 0.01645535 0.05555556 0.05555556 0.05555556 0.04629630 0.01851852 0.04629630 1.20000000 0.00000000 0.01834367 0.01510656 0.01672511 0.04629630 0.04629630 0.06481481 0.05555556 0.03703704 0.00000000 1.50000000 0.25925926 0.01240896 0.01348800 0.01483680 0.05555556 0.00925926 0.02777778 0.00925926 0.00925926 0.02777778 1.80000000 0.00000000 0.01079040 0.01213920 0.00728352 0.00925926 0.00925926 0.02777778 0.03703704 0.01851852 0.04629630 2.10000000 0.00000000 0.00728352 0.00674400 0.00512544 0.00000000 0.00000000 0.00000000 0.00925926 0.00925926 0.00925926 2.40000000 0.00000000 0.00728352 0.00620448 0.00458592 0.00000000 0.00925926 0.00000000 0.01851852 0.00925926 0.00925926 2.70000000 0.00000000 0.00188832 0.00539520 0.00404640 0.00000000 0.00000000 0.00000000 0.00000000 0.00925926 0.00000000