32 Lattice="6.0 0.0 0.0 0.0 6.0 0.0 0.0 0.0 6.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=-115.875301943 stress="-1.9289210604253708 0.1456436299914504 -0.3414305403494438 0.1456436299914504 -1.640787313393182 -0.39952298442145046 -0.3414305403494438 -0.39952298442145046 -1.8518551151330418" pbc="F F F" C -0.11090311 0.11115480 0.13643851 -3.51416038 -5.50619873 -3.73495357 C 1.70960170 1.03473100 0.13708343 -11.32196325 12.83899875 0.87056144 C 1.06120567 -0.16490224 1.52131603 -0.73184452 -0.32099021 3.07984486 C -0.16351684 1.51878885 1.07480089 -0.31438140 5.91946386 1.60166827 C 2.85872836 -0.04105180 0.12261256 16.37028388 -10.60948690 0.07930519 C 4.56504129 1.20865944 -0.13449789 -1.64387907 -2.17416840 2.45997243 C 4.28802619 0.22277084 1.68584377 -7.74383881 -11.23249671 -19.24283545 C 3.18362810 1.89652123 1.35027968 -6.14951111 -16.66511922 -0.38911144 C 0.17044571 3.17419780 0.13589717 -0.21412623 -2.79768694 -2.10352314 C 1.71997533 4.49207130 0.15300231 1.00610521 5.02470116 -6.00406338 C 1.53848316 2.95774659 1.41852158 -8.20353812 -5.62437072 3.22789985 C -0.04210664 4.37279021 1.37211723 -3.04238290 2.62485275 2.88135400 C 3.19178619 3.17895518 0.29140871 -14.89982425 -16.79393239 -28.20268189 C 4.49248724 4.25157968 0.14987291 18.83543230 20.64348488 -20.76108560 C 4.28091226 3.35233391 1.46603997 20.74268334 -13.11215387 7.93343096 C 2.80598025 4.32157598 1.51361598 -21.53289684 13.57311363 9.60948896 C -0.00498893 0.08610401 3.27277051 -16.91591529 -13.63729512 -40.88663567 C 1.29258293 1.33127571 2.90785311 -1.09501143 5.33083509 -8.10108368 C 1.18782310 -0.00370518 4.37656677 47.99208102 -33.79650107 18.87600571 C 0.08417477 1.05822276 4.57917971 -27.33056331 43.67766241 28.11314623 C 3.30497676 -0.10521001 3.13132919 -1.77548103 -0.44661879 4.80303782 C 4.75978669 1.22592512 2.78504734 8.43400340 13.72294000 17.56496659 C 4.68365717 -0.01491970 4.58343331 -3.44569061 2.73376243 -2.62680408 C 3.01399296 1.21525523 4.72094491 1.89257945 -3.08333292 -1.91696754 C 0.42581781 3.18190327 2.82183498 -9.11523708 -6.27364608 -8.81355341 C 1.54315750 4.42485375 3.12990665 4.39904156 8.05559482 -2.76128420 C 1.28220450 3.28278197 4.56210000 20.23906578 -16.91245839 10.91347681 C 0.13362859 4.32702941 4.57034430 -20.07202510 16.13730057 2.02274533 C 2.93053670 3.05473499 2.84861661 -4.16432974 -8.92071981 4.94974340 C 4.63661615 4.12482515 2.65415931 21.57019770 16.79504511 24.54245963 C 4.29869006 3.02703435 4.26735611 -1.85189985 0.92129920 -1.74768378 C 2.83533445 4.24148635 4.58611608 3.59702666 -0.09187838 3.76315935