# Test of GAP potential for Si system

units		metal
boundary	p p p

atom_style	atomic

read_data	data_gap

pair_style	quip
pair_coeff	* * gap_example.xml "Potential xml_label=GAP_2015_2_20_0_10_54_35_765" 14

neighbor	0.3 bin
neigh_modify	delay 10

fix		1 all nve
thermo		10
timestep	0.001

#dump		1 all custom 10 dump.gap id fx fy fz

run		40