864 Lattice="16.28054751966814 0.0 0.0 0.0 16.28054751966814 0.0 0.0 0.0 16.28054751966814" Properties=species:S:1:pos:R:3:Z:I:1:forces:R:3 energy=-2393.513067157271 pbc="F F F" C 0.00349877 -0.02002346 0.02024542 6 6.43775520 5.83578262 6.04608371 C 1.35806953 1.35354231 0.01056822 6 -1.48619603 -1.22113916 -1.69410510 C 1.36038678 -0.02669115 1.36264798 6 -1.20617097 -3.39055619 -1.69523832 C -0.00814475 1.36772327 1.37929355 6 -3.54583209 -0.54858576 -2.77431799 C 2.73764126 0.01551022 -0.01653409 6 -0.34877265 4.34012891 3.78672181 C 4.04660556 1.38039256 0.00927571 6 0.89454620 -0.79508006 -3.08965230 C 4.04473079 -0.01809049 1.36823933 6 1.73944464 -2.97264705 -1.35816773 C 2.69614063 1.33129473 1.38411221 6 0.28942920 0.15435413 0.15651332 C 5.40662158 0.01583586 -0.01683656 6 0.04980817 5.69028038 4.87756907 C 6.78942746 1.34196089 0.00154014 6 -2.25348588 -0.69279347 -2.21001595 C 6.78761590 -0.00419412 1.35235385 6 0.40398576 -3.22696584 -0.51371935 C 5.39455605 1.34408199 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