in.ni100
# Minimize potential energy to compute energy of [100]
# surface of nickel
units real
potential eam 1 input/nialhjea
timestep 0.001
lattice fcc 3.52
neighbor 0.3 1
periodicity 1 1 0
# memory
extra memory 3.0 4.0 5.0 3.0
# outputs
thermo 100
# box
create box -2 2 -2 2 -2 2
# read in atoms from file
read atoms input/snap.ni100
# run
relax 1
snap.ni100
ITEM: TIMESTEP
0
ITEM: NUMBER OF ATOMS
256
ITEM: BOX BOUNDS
-2.00000, 2.00000
-2.00000, 2.00000
-2.00000, 2.00000
ITEM: ATOMS
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