108 Lattice="7.907550354206432 0.0 0.0 0.0 7.907550354206432 0.0 0.0 0.0 7.907550354206432" Properties=species:S:1:pos:R:3:forces:R:3 energy=-525.1044195154462 stress="-0.03495943160700905 0.0040443986019273945 -0.0007398403372473036 0.0040443986019273945 -0.0382104709718792 -0.00018888114421881488 -0.0007398403372473036 -0.00018888114421881488 -0.04228316304700392" pbc="F F F" C 0.00554431 0.01823414 0.00495541 2.59342972 2.58195161 2.39476389 C 1.32615595 1.30154676 0.00451128 -0.62467405 -0.68380176 -2.59520924 C 1.30558120 0.00268156 1.31741070 -0.61550670 -2.78466179 -0.63777828 C 0.00976381 1.31090605 1.34026999 -2.62523108 -0.67878733 -0.83118337 C 2.65030439 0.00711613 0.02092453 0.32640466 3.69616181 3.57465388 C 3.94611083 1.30154097 0.01224242 0.14996018 -2.54322045 -2.89991356 C 3.95158459 0.00162071 1.32112073 -0.01785143 -3.11662505 -2.49377152 C 2.62706306 1.34012409 1.30929222 -0.67802629 -2.82237515 -3.99844595 C 5.25991103 0.00125197 0.00189350 2.23888284 5.77143007 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