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lammps/examples/PACKAGES/electrode/madelung/data.au-elyt
Ludwig Ahrens-Iwers ea7e0fbb6c Madelung benchmark
2022-10-12 07:01:44 +00:00

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LAMMPS data file via write_data, version 24 Dec 2020, timestep = 0
4 atoms
3 atom types
0 1 xlo xhi
0 1 ylo yhi
-10 10 zlo zhi
Masses
1 196.966553
2 196.966553
3 1.0
Pair Coeffs # lj/cut/coul/long
1 0 0
2 0 0
3 0 0
Atoms # full
1 1 1 0.00 0.00 0.00 -2.00 # bottom electrode
2 2 2 0.00 0.00 0.00 2.00 # top electrode
3 3 3 0.50 0.00 0.00 -1.00 # bottom electrolyte
4 3 3 -0.50 0.00 0.00 1.00 # top electrolyte