I am running simulation of a tension test. I apply strain by displace_box in one direction and then i equilibrate the sytem by fix nvt and i fix the pressure by fix press/berendsen. now i use thermo to get the pressure vector. Then for each strain increment i average all the stress and the displacement to get just one value for stress and one for strain. I have two question, first can we use this equilibration in strain load test, and second the pressure that i get from thermo , is it equal to Cijkl*ekl meanig if i plot stress vs strain, do i get the correct elastic modulus.
thanks