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Binary file added colder_lattice_structure.png
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25 changes: 25 additions & 0 deletions input/in.melt
Original file line number Diff line number Diff line change
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# 3d Lennard-Jones melt

units lj
atom_style atomic

lattice fcc 0.0442
region box block 0 10 0 10 0 10
create_box 1 box
create_atoms 1 box
mass 1 1.0

velocity all create 20 87287 loop geom

pair_style lj/cut 2.5
pair_coeff 1 1 1.0 1.0 2.5

neighbor 0.3 bin
neigh_modify every 20 one 50

fix 1 all nve
thermo 1

dump dmpvtk all vtk 1 dump%_*.vtu

run 100
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