units           metal
atom_style      atomic
boundary        p p p

variable        latc  equal 2.87
lattice         bcc ${latc}
variable 	xmax equal   10.0
variable 	xmin equal  -10.0
variable 	ymax equal   10.0
variable 	ymin equal  -10.0
variable 	zmax equal   10.0
variable 	zmin equal  -10.0

region 		sim_box block ${xmin} ${xmax} ${ymin} ${ymax} ${zmin} ${zmax} &
                units lattice
create_box 	1 sim_box
region 		atom_box block ${xmin} ${xmax} ${ymin} ${ymax} ${zmin} ${zmax} &
                units lattice
create_atoms 	1 region atom_box

mass            1 55.845

pair_style      eam/fs
pair_coeff      * * FeVoter-ChenRecheck.fs Fe

neighbor        2.0 bin
neigh_modify    every 5 delay 0 check yes

fix             1 all nve

fix             twotemp all ttm/grid 342785 1.2470e-5 0.087614 &
                0.005365 29.5917 47.5679 58.4613 10 10 10 set 1800.0

compute         pe all pe/atom
compute         ke all ke/atom

timestep        0.0001
thermo          100

thermo_style    custom step temp etotal f_twotemp[1] f_twotemp[2]
                thermo_modify format float "%20.16g"

# dump output

#compute         1 all property/grid 10 10 10 id ix iy iz
#dump            1 all grid 100 tmp.dump c_1:grid:data[*] f_twotemp:grid:data
#dump_modify     1 sort 1

#compute         10 all property/grid 10 10 10 id xc yc zc
#fix             ave all ave/grid 10 10 100 10 10 10 f_twotemp:grid:data

#dump            ave all grid 100 tmp.dump.ave &
#                c_10:grid:data[*] f_ave:grid:data
#dump_modify     ave sort id

#dump            vtk all grid/vtk 100 tmp.dump.*.vtk f_ave:grid:data
#dump_modify     vtk sort id buffer no

# run simulation

run             1000