1372 Lattice="24.41261082674555 0.0 0.0 0.0 24.41261082674555 0.0 0.0 0.0 24.41261082674555" Properties=species:S:1:pos:R:3:forces:R:3 energy=-4348.915968677816 stress="-0.01314873394212791 -0.004498054506489492 0.0015921112739791775 -0.004498054506489492 -0.009993956199009623 -0.003953899305987357 0.0015921112739791775 -0.003953899305987357 -0.01578214470267085" pbc="F F F" C 0.01860772 0.01121930 0.01894009 -1.13218992 -0.74169042 -1.14249493 C 1.77230183 1.73445480 0.01182752 0.02313851 1.18704461 -0.97137179 C 1.71119777 0.02042593 1.75858311 1.10796304 -1.01966436 0.75409677 C 0.00001820 1.76347620 1.74472019 -0.75463393 1.03691323 2.03296290 C 3.47607518 0.01096594 0.01869651 0.65468265 -0.85559520 -0.12182836 C 5.26305093 1.74932632 0.00453635 -1.01222032 -0.59765883 0.87887561 Fe 5.18653099 0.01642944 1.77576749 0.56672274 0.29028267 -0.87862208 Fe 3.45561168 1.75335477 1.76555215 0.88382700 -0.40630311 -2.36043681 Fe 6.97679377 0.01201790 0.03123154 0.08290827 0.03829018 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