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debian/test_files/openmm/calc_output/trajectory.dcd
debian/test_files/redox_mol_docs.pickle
debian/test_files/lithium_carbonate_tasks.json.gz
debian/test_files/random_bh4_entries.json.gz
debian/test_files/open_shell_nbo_task.json.gz
debian/test_files/C2H4.json.gz
debian/test_files/elasticity/SiC_tasks.json.gz
debian/test_files/qchem/qchem_sp_test/mol.qout.gz
debian/test_files/qchem/qchem_sp_test/mol.qclog.gz
debian/test_files/qchem/qchem_sp_test/custodian.json.gz
debian/test_files/qchem/qchem_sp_test/mol.qin.orig.gz
debian/test_files/qchem/qchem_sp_test/mol.qin.gz
debian/test_files/qchem/qchem_opt_test/GRAD.gz
debian/test_files/qchem/qchem_opt_test/mol.qout.gz
debian/test_files/qchem/qchem_opt_test/mol.qclog.gz
debian/test_files/qchem/qchem_opt_test/custodian.json.gz
debian/test_files/qchem/qchem_opt_test/mol.qin.orig.gz
debian/test_files/qchem/qchem_opt_test/mol.qin.gz
debian/test_files/electronic_structure/es_bs_objs.json.gz
debian/test_files/electronic_structure/es_dos_objs.json.gz
debian/test_files/electronic_structure/es_task_docs.json.gz
debian/test_files/3dfd058d8b422143d386d1ec9a723987-C1Li1O3-m1-1.json.gz
debian/test_files/magnetism/magnetism_task_docs.json.gz
debian/test_files/test_As2SO6_tasks.json.gz
debian/test_files/liec_tasks.json.gz
debian/test_files/failed_elastic_task.json.gz
debian/test_files/C3H4Li1O3.json.gz
debian/test_files/test_si_tasks.json.gz
debian/test_files/task_doc_mp-2766060.json.gz
debian/test_files/vasp/Si_old_double_relax/POSCAR.orig.gz
debian/test_files/vasp/Si_old_double_relax/INCAR.relax1.gz
debian/test_files/vasp/Si_old_double_relax/POSCAR.relax1.gz
debian/test_files/vasp/Si_old_double_relax/INCAR.orig.gz
debian/test_files/vasp/Si_old_double_relax/INCAR.relax2.gz
debian/test_files/vasp/Si_old_double_relax/vasprun.xml.relax2.gz
debian/test_files/vasp/Si_old_double_relax/vasp.out.relax2.gz
debian/test_files/vasp/Si_old_double_relax/OUTCAR.relax2.gz
debian/test_files/vasp/Si_old_double_relax/OUTCAR.relax1.gz
debian/test_files/vasp/Si_old_double_relax/CONTCAR.relax1.gz
debian/test_files/vasp/Si_old_double_relax/POSCAR.relax2.gz
debian/test_files/vasp/Si_old_double_relax/KPOINTS.relax1.gz
debian/test_files/vasp/Si_old_double_relax/POTCAR.gz
debian/test_files/vasp/Si_old_double_relax/KPOINTS.orig.gz
debian/test_files/vasp/Si_old_double_relax/KPOINTS.relax2.gz
debian/test_files/vasp/Si_old_double_relax/IBZKPT.relax2.gz
debian/test_files/vasp/Si_old_double_relax/POTCAR.orig.gz
debian/test_files/vasp/Si_old_double_relax/IBZKPT.relax1.gz
debian/test_files/vasp/Si_old_double_relax/vasprun.xml.relax1.gz
debian/test_files/vasp/Si_old_double_relax/CONTCAR.relax2.gz
debian/test_files/vasp/Si_old_double_relax/vasp.out.relax1.gz
debian/test_files/vasp/Si_old_double_relax/custodian.json.gz
debian/test_files/vasp/magnetic_run/OUTCAR.gz
debian/test_files/vasp/magnetic_run/vasprun.xml.gz
debian/test_files/vasp/magnetic_run/CONTCAR.gz
debian/test_files/vasp/defect_run/POSCAR.orig.gz
debian/test_files/vasp/defect_run/OUTCAR.gz
debian/test_files/vasp/defect_run/vasprun.xml.gz
debian/test_files/vasp/defect_run/OSZICAR.gz
debian/test_files/vasp/defect_run/XDATCAR.gz
debian/test_files/vasp/defect_run/INCAR.orig.gz
debian/test_files/vasp/defect_run/KPOINTS.gz
debian/test_files/vasp/defect_run/EIGENVAL.gz
debian/test_files/vasp/defect_run/vasp.out.gz
debian/test_files/vasp/defect_run/CONTCAR.gz
debian/test_files/vasp/defect_run/PROCAR.gz
debian/test_files/vasp/defect_run/KPOINTS.orig.gz
debian/test_files/vasp/defect_run/INCAR.gz
debian/test_files/vasp/defect_run/custodian.json.gz
debian/test_files/vasp/defect_run/REPORT.gz
debian/test_files/vasp/defect_run/PCDAT.gz
debian/test_files/vasp/defect_run/DOSCAR.gz
debian/test_files/vasp/defect_run/POSCAR.gz
debian/test_files/vasp/Si_uniform/POSCAR.orig.gz
debian/test_files/vasp/Si_uniform/OUTCAR.gz
debian/test_files/vasp/Si_uniform/vasprun.xml.gz
debian/test_files/vasp/Si_uniform/INCAR.orig.gz
debian/test_files/vasp/Si_uniform/KPOINTS.gz
debian/test_files/vasp/Si_uniform/CONTCAR.gz
debian/test_files/vasp/Si_uniform/KPOINTS.orig.gz
debian/test_files/vasp/Si_uniform/INCAR.gz
debian/test_files/vasp/Si_uniform/custodian.json.gz
debian/test_files/vasp/Si_uniform/POSCAR.gz
debian/test_files/vasp/r2scan_relax/OUTCAR.gz
debian/test_files/vasp/r2scan_relax/vasprun.xml.gz
debian/test_files/vasp/r2scan_relax/CONTCAR.gz
debian/test_files/vasp/r2scan_relax/INCAR.gz
debian/test_files/vasp/r2scan_relax/POSCAR.gz
debian/test_files/vasp/Si_static/POSCAR.orig.gz
debian/test_files/vasp/Si_static/OUTCAR.gz
debian/test_files/vasp/Si_static/vasprun.xml.gz
debian/test_files/vasp/Si_static/INCAR.orig.gz
debian/test_files/vasp/Si_static/CONTCAR.gz
debian/test_files/vasp/Si_static/CHGCAR.gz
debian/test_files/vasp/Si_static/INCAR.gz
debian/test_files/vasp/Si_static/custodian.json.gz
debian/test_files/vasp/Si_static/POSCAR.gz
debian/test_files/builder_task_set.json.gz
debian/test_files/closed_shell_nbo_task.json.gz
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