where, P xz is the xz-component of pressure tensor. The integration is performed as well for other off-diagonal pressure tensor components P xy , P yz , 1 2 (P xx -P yy ), 1 2 (P yy -P zz ), and 1 2 (P xx -P zz ) and an average 57 is taken which helps to improve the statistics. For analysis of structural properties the structure factor is calculated using the following relation