units		metal
atom_style	atomic
atom_modify	map array
boundary	f f f

region		mybox block -20 20 -20 20 -20 20
create_box	2 mybox
lattice		fcc 1.0

##NP
create_atoms 1 single       -1.209273        8.587659       -2.120412
create_atoms 1 single       -0.991755        8.213213        0.818793
create_atoms 1 single       -1.159307        4.543767        3.590889
create_atoms 1 single        0.042668        6.975678        3.462094
create_atoms 1 single       -2.284068        1.941286       -0.988801
create_atoms 1 single        1.853965        2.952848       -3.895787
create_atoms 1 single        1.344629        9.060019       -0.708789
create_atoms 1 single        0.683047        2.340589       -1.457734
create_atoms 1 single       -3.055026        4.253904        0.848291
create_atoms 1 single       -0.474233        2.930717        1.423715
create_atoms 1 single        2.879142        7.058914        3.086161
create_atoms 1 single        0.180490        5.055497       -4.986779
create_atoms 1 single        0.895226        7.402647       -3.247677
create_atoms 1 single       -2.751185        6.605056       -0.564522
create_atoms 1 single        3.650075        8.271346        0.362351
create_atoms 1 single        4.971997        5.928431       -1.023579
create_atoms 1 single        1.465559        4.686113        2.787803
create_atoms 1 single        3.439896        8.228603       -2.368578
create_atoms 1 single       -1.246572        3.216232       -3.460833
create_atoms 1 single        3.491127        5.228676        1.017235
create_atoms 1 single       -2.921962        6.810493        2.227174
create_atoms 1 single        2.538925        2.599277        1.376280
create_atoms 1 single        3.111241        3.720134       -1.428660
create_atoms 1 single       -3.612548        4.127963       -1.935392
create_atoms 1 single       -1.683125        5.961905       -3.024311
create_atoms 1 single        3.182080        5.767729       -3.541045
create_atoms 1 single        1.143631        9.160736        2.341029
create_atoms 2 single       -0.105880        6.564153       -0.986822
create_atoms 2 single        1.315131        6.826156        1.077341
create_atoms 2 single        2.399697        6.315221       -1.050131
create_atoms 2 single       -0.818335        5.612298        1.397674
create_atoms 2 single        1.061600        4.740101       -2.412276
create_atoms 2 single        1.149175        4.510012        0.110257
create_atoms 2 single       -1.166224        4.149124       -0.907156

#Ag
mass		1 108.0
#Cu
mass		2 64.0

pair_style	smatb
#Ag Ag
pair_coeff	1 1 2.89  10.85	3.18	0.1031	1.1895	4.08707719	5.0056268338740553
#Cu Cu
pair_coeff	2 2 2.56  10.55	2.43	0.0894	1.2799	3.62038672	4.4340500673763259
#Ag Cu
pair_coeff	1 2 2.725 10.70	2.805	0.0977	1.2275	4.08707719	4.4340500673763259

#using nsq style does not make the simulation crash
#at some point the bin style "loses" some neighbours for one atom
neighbor	2.0 bin
#neighbor	2.0 nsq

neigh_modify	delay 0 every 20 check yes

velocity	all create 800 123456 loop geom mom yes rot yes

reset_timestep  0
#dump for vmd
dump            NPDump all atom 1000 NP.lammpstrj

print           "#############equilibration################"
timestep        0.00005
fix		1 all nve
thermo 		100
run		1000
print           "##################RUN#####################"
timestep        0.005
fix		1 all nve
thermo 		1000
run		100000