in_nvt_hydro.fcc

##-----Initialisation------------------------------------------------------------------
units 					metal 
boundary				p p p
variable				ax equal ${A}
variable                strain equal ${Strain}
variable				d1 equal "v_ax*v_strain"
lattice					fcc ${d1}
region 					whole block  -10 10 -10 10 -10 10
create_box 				1 whole								
create_atoms			1 region whole
pair_style              eam/alloy
pair_coeff              * * FeNiCr_Bonny_2013_ptDef.eam.alloy Ni 
neighbor                2.0 bin
neigh_modify            delay 5 check yes one 100000 page 100000000
change_box				all x scale 1 remap
#------ Simulation Condition -------------------------------------------------------------------
fix						1 all deform 1 x scale 1 y scale 1 z scale 1
velocity               all create ${Temp} ${Nseed} rot yes mom yes dist gaussian
velocity               all zero linear
velocity               all zero angular
fix                    nvt all nvt temp ${Temp} ${Temp} 1
#----- relaxation and md --------------------------------------------------------------------------
compute                msd all msd
thermo                 100
thermo_style           custom step time temp press pxx pyy pzz lx ly lz etotal pe ke c_msd[4]
timestep				0.002
dump					dumpposition all xyz 500 relax.*.xyz
run                    ${Nstep}