* Error (Neighbor List) : "Collision of atoms 5 and 7. Their distance is 6.28412e-06. " : 205:kimpy/neighlist/neighbor_list.cpp Traceback (most recent call last): File "/usr/local/lib/python3.8/dist-packages/crystal_genome_util/aflow_util.py", line 267, in aflow_command return subprocess.check_output(cmd_str, shell=True, stderr=subprocess.PIPE,encoding="utf-8") File "/usr/lib/python3.8/subprocess.py", line 415, in check_output return run(*popenargs, stdout=PIPE, timeout=timeout, check=True, File "/usr/lib/python3.8/subprocess.py", line 516, in run raise CalledProcessError(retcode, process.args, subprocess.CalledProcessError: Command 'aflow --np=1 --prim < compare/0 | aflow --np=1 --prototype --print=json' returned non-zero exit status 32. During handling of the above exception, another exception occurred: Traceback (most recent call last): File "../../td/EquilibriumCrystalStructure__TD_457028483760_002/runner", line 170, in find_unique_materials_and_write_properties(COMPARE_DIR, prototype_label, energy_per_atom, species) File "/usr/local/lib/python3.8/dist-packages/crystal_genome_util/property_util/equilibrium_crystal_structure.py", line 215, in find_unique_materials_and_write_properties relax_proto_des=aflow.get_prototype(relax_poscar_path) File "/usr/local/lib/python3.8/dist-packages/crystal_genome_util/aflow_util.py", line 355, in get_prototype output=self.aflow_command([ File "/usr/local/lib/python3.8/dist-packages/crystal_genome_util/aflow_util.py", line 272, in aflow_command raise RuntimeError("ERROR: unexpected error from aflow command %s , error code = %d\nstderr: %s" % (cmd_str, exc.returncode, exc.stderr)) RuntimeError: ERROR: unexpected error from aflow command aflow --np=1 --prim < compare/0 | aflow --np=1 --prototype --print=json , error code = 32 stderr: EEEEE ---------------------------------------------------------------------------------------------------------------------------- EEEEE ERROR aurostd::reduce_A_in_ABC(): ERROR 32 in aurostd::reduce_A_in_ABC():: Value Error (out of range) - [dir=/scratch.global/bwaters/jobs/bwaters/job-eb4de9c0-8904-44cd-9ead-a56781d8b0ce-007-0d1f388b-d47e-4327-8fec-fea6b2551385/TE_448573160772_002-and-MO_612732924171_002-1715979886/staged_job_files/repository/te/EquilibriumCrystalStructure_A_oC12_63_cg_O__TE_448573160772_002/] - [user=bwaters] - [host=acn164] - [PID=407928] - [date=Fri May 17 16:36:47 2024] - [AUROSTD/aurostd.cpp] EEEEE ERROR aurostd::reduce_A_in_ABC(): A,B,C vectors in reduce_A_in_ABC are co-planar - [dir=/scratch.global/bwaters/jobs/bwaters/job-eb4de9c0-8904-44cd-9ead-a56781d8b0ce-007-0d1f388b-d47e-4327-8fec-fea6b2551385/TE_448573160772_002-and-MO_612732924171_002-1715979886/staged_job_files/repository/te/EquilibriumCrystalStructure_A_oC12_63_cg_O__TE_448573160772_002/] - [user=bwaters] - [host=acn164] - [PID=407928] - [date=Fri May 17 16:36:47 2024] - [AUROSTD/aurostd.cpp] EEEEE ----------------------------------------------------------------------------------------------------------------------------  Command exited with non-zero status 1 {"realtime":10.86,"usertime":5.32,"systime":3.64,"memmax":109672,"memavg":0}