108 Lattice="7.907549901783543 0.0 0.0 0.0 7.907549901783543 0.0 0.0 0.0 7.907549901783543" Properties=species:S:1:pos:R:3:forces:R:3 energy=-524.1041786507968 stress="-0.05812431342270548 0.0018140654634799024 0.0023599181646473556 0.0018140654634799024 -0.05685340852912873 -0.0023053027947878123 0.0023599181646473556 -0.0023053027947878123 -0.05459487093086151" free_energy=-524.1041786507968 pbc="F F F" C 0.01092849 0.01273735 0.00869303 2.47321786 2.45716603 2.61513708 C 1.31810607 1.31648997 0.02268276 -0.51481593 -0.46194291 -2.75495201 C 1.31975629 0.00197701 1.31342637 -0.46789570 -2.67496502 -0.84535520 C 0.01265040 1.30705776 1.29727723 -2.82309707 -0.35881270 -0.79269588 C 2.62997948 0.02186560 0.00626086 -0.02747315 3.56526400 3.71792333 C 3.95672640 1.33078415 0.02052558 -0.32872460 -2.32869006 -3.46624529 C 3.98172477 0.01725400 1.29493819 0.27472323 -2.87272929 -2.41037688 C 2.63793655 1.31569696 1.33946448 -0.40634465 -3.72794971 -3.01413566 C 5.28783346 0.02492688 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