32 Lattice="42.0 0.0 0.0 0.0 42.0 0.0 0.0 0.0 42.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=-79.39617910510195 stress="0.0019620193453544687 2.4081185891095426e-05 0.00022545555391184576 2.4081185891095426e-05 0.0019742540603982003 0.0001821369164652815 0.00022545555391184576 0.0001821369164652815 0.0019884770452777813" free_energy=-79.39617910510195 pbc="F F F" C 20.85540510 21.11115480 21.11044915 4.03458880 4.55163848 5.23338127 C 22.70960170 22.31143450 20.87202696 2.10522088 -6.35502870 1.03922146 C 22.28829595 20.83509776 22.66640352 -5.45373319 4.34844812 2.38459798 C 21.07687608 22.51878885 22.32834452 3.70508121 -4.32085400 -3.73093857 C 23.87679405 20.95894820 20.97550362 -0.76705338 7.74052692 0.19956585 C 25.56504129 22.20865944 20.86550211 -3.53925892 -4.49935945 2.66691768 C 25.28802619 21.22277084 22.68584377 0.86904057 17.90655712 14.35671009 C 24.18362810 22.69581920 22.64685009 7.47660022 6.00915519 2.54445053 C 21.26959405 24.17626233 20.85402479 3.23673801 6.46734227 7.35129737 C 22.59086528 25.49207130 21.15300231 -2.66182164 -5.86476514 6.77858920 C 22.53848316 23.95774659 22.41852158 -2.47408884 2.45771162 -3.99973750 C 20.95789336 25.38825682 22.13178262 3.97309141 -4.70825296 -4.18055652 C 24.19178619 24.17895518 21.29140871 5.41913719 5.73545848 12.50494825 C 25.61455359 25.53253581 21.20740224 -2.24477418 -5.23196340 1.84043852 C 25.28091226 24.10609294 22.46603997 -12.72275776 3.24457084 -4.27787846 C 23.80598025 25.32157598 22.51361598 -5.50842840 -11.15314789 -2.59661132 C 20.85198705 20.97567541 24.06329927 8.61188243 4.04199301 3.33113652 C 22.18391079 22.27846858 23.97644859 -6.88510418 -7.32106198 -0.25995051 C 22.34126820 20.84140700 25.31668137 -1.13964001 7.92555381 -3.29381125 C 20.91986395 22.24396547 25.59073906 3.00414104 -4.69201772 -4.89578595 C 24.27219963 20.85383191 24.33203122 4.90773128 1.69771642 2.39184380 C 25.75978669 22.22592512 23.78504734 -7.20161142 -15.86706995 -12.45969883 C 25.68365717 21.20288723 25.58343331 -4.10041053 0.46107766 -6.44490497 C 23.49928362 22.44809454 25.72094491 -3.51280580 -3.44129485 -2.10805095 C 21.23171545 24.18190327 23.82183498 6.95588900 5.22748385 -1.01539049 C 22.71219253 25.42485375 24.12990665 5.05585797 -6.74108941 3.55460466 C 22.28220450 24.28278197 25.56210000 -7.69838429 14.92788195 -2.98835619 C 21.13362859 25.32702941 25.47119596 11.93452768 -12.68610001 -1.06106827 C 24.04852473 24.05473499 23.91561068 5.63599168 3.76261915 -4.32399503 C 25.63455162 25.40480033 24.15906743 -1.05953287 -8.14668340 3.82355123 C 25.29869006 24.11041876 25.26735611 -6.23141337 10.03988027 -8.27802601 C 23.83533445 25.24148635 25.58611608 -3.72470060 -5.51692628 -4.08649359