diff --git a/examples/Using LAMMPS with MatGL.ipynb b/examples/Using LAMMPS with MatGL.ipynb index 2c25dcac..051bd242 100644 --- a/examples/Using LAMMPS with MatGL.ipynb +++ b/examples/Using LAMMPS with MatGL.ipynb @@ -230,10 +230,10 @@ "\n", "read_data ./dat.lammps\n", "replicate {x} 1 1\n", - "pair_coeff * * M3GNet-MP-2021.2.8-DIRECT-PES Zr O # MatGL will be called\n", + "pair_coeff * * M3GNet-MP-2021.2.8-DIRECT-PES Mg O # MatGL will be called\n", "\n", "dump myDump all custom 10 xyz.lammpstrj id element x y z\n", - "dump_modify myDump sort id element Zr O\n", + "dump_modify myDump sort id element Mg O\n", "\n", "thermo_style custom step time cpu pe ke etotal temp press vol density\n", "thermo 10\n",