256 Lattice="29.61050796508789 0.0 0.0 0.0 29.61050796508789 0.0 0.0 0.0 29.61050796508789" Properties=species:S:1:pos:R:3:forces:R:3 energy=-132.91577493020964 stress="-7.292958405482e-05 4.7291538150284863e-07 -4.903283051252155e-06 4.7291538150284863e-07 -7.096994153290983e-05 5.367405478738267e-06 -4.903283051252155e-06 5.367405478738267e-06 -7.70734486101151e-05" free_energy=-132.91577493020964 pbc="F F F" K 0.04854516 0.04237114 0.03900955 -0.05680958 -0.06038710 -0.05664707 K 3.65616471 3.68548454 0.00697467 0.09607081 0.06368725 -0.10032072 K 3.63497800 0.01677745 3.76683824 0.10017887 -0.10036117 0.04569198 K 0.03849272 3.68217741 3.68599745 -0.11461846 0.07318808 0.07228283 K 7.36508358 0.00673260 0.06391601 -0.00510358 -0.07014024 -0.06712617 K 11.05464374 3.62959430 0.00357038 0.02140796 0.09865759 -0.08872652 K 11.05188000 0.01886002 3.65105548 0.01535245 -0.09280932 0.09802430 K 7.52257316 3.72711365 3.73104643 -0.01744177 0.08549323 0.09533840 K 14.81375207 0.00389889 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