# start a spin-lattice simulation from a data file
units 		metal
atom_style 	spin

dimension 	3
boundary 	p p p 

# necessary for the serial algorithm (sametag)
atom_modify 	map array 

read_restart	restart_hcp_cobalt.equil

# setting mass, mag. moments, and interactions

mass		1 58.93

pair_style 	hybrid/overlay eam/alloy spin/exchange 4.0
pair_coeff 	* * eam/alloy Co_PurjaPun_2012.eam.alloy Co
pair_coeff 	* * spin/exchange exchange 4.0 0.3593 1.135028015e-05 1.064568567

neighbor 	1.0 bin
neigh_modify 	every 1 check no delay 0

fix 		1 all precession/spin zeeman 0.0 0.0 0.0 1.0
fix 		2 all langevin/spin 0.0 0.0 21

fix 		3 all nve/spin lattice moving
timestep	0.0001

# define outputs

compute 	out_mag    all spin
compute 	out_pe     all pe
compute 	out_ke     all ke
compute 	out_temp   all temp

variable 	magz      equal c_out_mag[3]
variable 	magnorm   equal c_out_mag[4]
variable 	emag      equal c_out_mag[5]
variable 	tmag      equal c_out_mag[6]

thermo          20
thermo_style    custom step time v_magnorm pe v_emag v_tmag temp etotal
thermo_modify   format float %20.15g

compute 	outsp all property/atom spx spy spz sp fmx fmy fmz
dump 		100 all custom 1 dump.lammpstrj type x y z c_outsp[1] c_outsp[2] c_outsp[3] c_outsp[4] c_outsp[5] c_outsp[6] c_outsp[7]

run 		100