QEXSD_20.04.20 XML file generated by PWSCF This run was terminated on: 14:12:33 22 Sep 2026 32 1 1 1 16 2 scf from_scratch pwscf /usr/share/espresso/pseudo /var/lib/material-modelling/data/cod_1011023.cif-QuantumEspresso-Test-20260922-141112 true true true low 10000000 1 5.000000000000000e-5 5.000000000000000e-4 5.000000000000000e-1 high 100000 1.599900000000000e1 O.pbe-n-kjpaw_psl.0.1.UPF 1.008000000000000e0 H.pbe-rrkjus_psl.1.0.0.UPF 4.925393509581355e0 0.000000000000000e0 8.692740173278544e-1 -2.462696754790677e0 4.265515902977453e0 8.692740173278544e-1 4.926132392496084e0 8.532311588579793e0 8.692740173278544e-1 9.852264784992167e0 0.000000000000000e0 7.823466155950688e0 -4.926132392496084e0 8.532311588579793e0 7.823466155950688e0 2.462696754790677e0 4.265515902977453e0 7.823466155950688e0 9.852264784992167e0 0.000000000000000e0 1.303911025991781e1 -4.926132392496084e0 8.532311588579793e0 1.303911025991781e1 2.462696754790677e0 4.265515902977453e0 1.303911025991781e1 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