256 Lattice="14.476178031116977 0.0 0.0 0.0 14.476178031116977 0.0 0.0 0.0 14.476178031116977" Properties=species:S:1:pos:R:3:forces:R:3 energy=-738.6998273974723 stress="-0.005729120553969401 -0.0004524861509276963 -0.00028141695913334956 -0.0004524861509276963 -0.005706335390437183 -0.00013601995263759283 -0.00028141695913334956 -0.00013601995263759283 -0.005541111959273115" free_energy=-738.6998273974723 pbc="F F F" Ni 0.00064836 0.02163752 0.01015624 -0.41927409 -0.38239356 -0.38014407 Ni 1.82021429 1.78754557 0.00949765 0.49097272 0.86654555 -0.94953482 Ni 1.81579160 0.01791992 1.79082250 0.36461697 -1.02595576 0.93644101 Ni 0.00431580 1.81637507 1.81753155 -0.77754293 0.40690953 0.69045740 Ni 3.60205466 0.00361255 0.01782484 0.34859335 -0.49293374 -0.61860993 Ni 5.46145719 1.81341351 0.02058140 -0.81386746 0.74130545 -0.85549574 Ni 5.43431084 0.02877358 1.79250310 -0.26861410 -0.66784525 1.25907275 Ni 3.58869884 1.81647163 1.83411272 0.64646437 0.91136167 0.78021138 Ni 7.21004836 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