**************************************************************************************************** Average of energy (eV atom^-1) ---------------------------------------------------------------------------------------------------- -7.22822991 **************************************************************************************************** Average of force (X Y Z) (eV ang^-1 atom^-1) ---------------------------------------------------------------------------------------------------- 0.00000016 0.00000064 -0.00000006 **************************************************************************************************** Average of stress (XX YY ZZ XY XZ YZ) (GPa atom^-1) ---------------------------------------------------------------------------------------------------- 0.00014124 -0.00769907 -0.00630054 -0.00151862 -0.00230464 -0.00135709 **************************************************************************************************** Variance of energy (eV atom^-1) ---------------------------------------------------------------------------------------------------- 0.01129520 **************************************************************************************************** Variance of force (X Y Z) (eV ang^-1 atom^-1) ---------------------------------------------------------------------------------------------------- 0.01400288 0.01153655 0.01260642 **************************************************************************************************** Variance of stress (XX YY ZZ XY XZ YZ) (GPa atom^-1) ---------------------------------------------------------------------------------------------------- 0.01252129 0.01207147 0.01069889 0.00695463 0.00830754 0.00818427 **************************************************************************************************** Normalized histogram X, HIS_E, HIS_F, HIS_S ---------------------------------------------------------------------------------------------------- -3.00000000 0.00000000 0.00500501 0.00575576 0.00475475 0.00000000 0.00000000 0.00000000 0.02702703 0.00000000 0.02702703 -2.70000000 0.00000000 0.00325325 0.00500501 0.00425425 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 -2.40000000 0.00000000 0.00750751 0.00675676 0.00775776 0.05405405 0.00000000 0.02702703 0.00000000 0.00000000 0.00000000 -2.10000000 0.05405405 0.01051051 0.01776777 0.01001001 0.00000000 0.08108108 0.02702703 0.02702703 0.00000000 0.02702703 -1.80000000 0.02702703 0.01826827 0.02252252 0.02477477 0.02702703 0.00000000 0.05405405 0.00000000 0.02702703 0.00000000 -1.50000000 0.08108108 0.03428428 0.03228228 0.04429429 0.02702703 0.05405405 0.00000000 0.08108108 0.05405405 0.08108108 -1.20000000 0.05405405 0.04754755 0.05855856 0.06181181 0.05405405 0.02702703 0.10810811 0.00000000 0.21621622 0.02702703 -0.90000000 0.08108108 0.08108108 0.09034034 0.08508509 0.10810811 0.02702703 0.08108108 0.02702703 0.02702703 0.08108108 -0.60000000 0.08108108 0.12312312 0.12337337 0.11711712 0.10810811 0.18918919 0.10810811 0.16216216 0.05405405 0.08108108 -0.30000000 0.02702703 0.16141141 0.14939940 0.14164164 0.18918919 0.16216216 0.02702703 0.13513514 0.10810811 0.21621622 0.00000000 0.13513514 0.17342342 0.14264264 0.13013013 0.02702703 0.13513514 0.18918919 0.16216216 0.13513514 0.08108108 0.30000000 0.21621622 0.12162162 0.10960961 0.11736737 0.08108108 0.10810811 0.10810811 0.13513514 0.16216216 0.05405405 0.60000000 0.05405405 0.08183183 0.07682683 0.08708709 0.13513514 0.05405405 0.05405405 0.05405405 0.02702703 0.10810811 0.90000000 0.08108108 0.05055055 0.05105105 0.06281281 0.08108108 0.02702703 0.08108108 0.05405405 0.08108108 0.13513514 1.20000000 0.08108108 0.02877878 0.03628629 0.03703704 0.05405405 0.02702703 0.08108108 0.05405405 0.02702703 0.02702703 1.50000000 0.00000000 0.02127127 0.02427427 0.02427427 0.02702703 0.05405405 0.05405405 0.08108108 0.02702703 0.02702703 1.80000000 0.00000000 0.00875876 0.01801802 0.01551552 0.00000000 0.02702703 0.00000000 0.00000000 0.02702703 0.02702703 2.10000000 0.00000000 0.00950951 0.00925926 0.00775776 0.02702703 0.02702703 0.00000000 0.00000000 0.00000000 0.00000000 2.40000000 0.02702703 0.00375375 0.00925926 0.00425425 0.00000000 0.00000000 0.00000000 0.00000000 0.02702703 0.00000000 2.70000000 0.00000000 0.00175175 0.00450450 0.00300300 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000