LAMMPS interactive indicies bug

[jan-janssen]

Example from the journal club:

from ase.build import bulk
from pyiron_atomistics import Project, ase_to_pyiron
import structuretoolkit as stk
from tqdm import tqdm

structure = bulk('Cu',cubic=True).repeat(3)
target_c = 0.75
mole_fractions = {'Cu': target_c, 'Ag': 1-target_c}
pr = Project(".")
lmp = pr.create.job.Lammps(job_name="lmp", delete_existing_job=True)
lmp.potential = '2006--Williams-P-L--Cu-Ag--LAMMPS--ipr1'
lmp.interactive_open()
lmp.calc_static()
for _ in tqdm(range(10)):
    lmp.structure = ase_to_pyiron(stk.build.sqs_structures(
        structure=structure,
        mole_fractions=mole_fractions,
    )[0])
    lmp.run()
lmp.interactive_close()
lmp.output.energy_tot