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=-115.87530194273639 stress="-0.0029005551215313735 0.00021900708409339914 -0.0005134155683070693 0.00021900708409339914 -0.002467282950478417 -0.000600770276403913 -0.0005134155683070693 -0.000600770276403913 -0.002784669600397542" free_energy=-115.87530194273639 pbc="F F F" C 20.88909689 21.11115480 21.13643851 -3.51416038 -5.50619873 -3.73495357 C 22.70960170 22.03473100 21.13708343 -11.32196325 12.83899875 0.87056144 C 22.06120567 20.83509776 22.52131603 -0.73184452 -0.32099021 3.07984486 C 20.83648316 22.51878885 22.07480089 -0.31438140 5.91946386 1.60166827 C 23.85872836 20.95894820 21.12261256 16.37028388 -10.60948690 0.07930519 C 25.56504129 22.20865944 20.86550211 -1.64387907 -2.17416840 2.45997243 C 25.28802619 21.22277084 22.68584377 -7.74383881 -11.23249671 -19.24283545 C 24.18362810 22.89652123 22.35027968 -6.14951111 -16.66511922 -0.38911144 C 21.17044571 24.17419780 21.13589717 -0.21412623 -2.79768694 -2.10352314 C 22.71997533 25.49207130 21.15300231 1.00610521 5.02470116 -6.00406338 C 22.53848316 23.95774659 22.41852158 -8.20353812 -5.62437072 3.22789985 C 20.95789336 25.37279021 22.37211723 -3.04238290 2.62485275 2.88135400 C 24.19178619 24.17895518 21.29140871 -14.89982425 -16.79393239 -28.20268189 C 25.49248724 25.25157968 21.14987291 18.83543230 20.64348488 -20.76108560 C 25.28091226 24.35233391 22.46603997 20.74268334 -13.11215387 7.93343096 C 23.80598025 25.32157598 22.51361598 -21.53289684 13.57311363 9.60948896 C 20.99501107 21.08610401 24.27277051 -16.91591529 -13.63729512 -40.88663567 C 22.29258293 22.33127571 23.90785311 -1.09501143 5.33083509 -8.10108368 C 22.18782310 20.99629482 25.37656677 47.99208102 -33.79650107 18.87600571 C 21.08417477 22.05822276 25.57917971 -27.33056331 43.67766241 28.11314623 C 24.30497676 20.89478999 24.13132919 -1.77548103 -0.44661879 4.80303782 C 25.75978669 22.22592512 23.78504734 8.43400340 13.72294000 17.56496659 C 25.68365717 20.98508030 25.58343331 -3.44569061 2.73376243 -2.62680408 C 24.01399296 22.21525523 25.72094491 1.89257945 -3.08333292 -1.91696754 C 21.42581781 24.18190327 23.82183498 -9.11523708 -6.27364608 -8.81355341 C 22.54315750 25.42485375 24.12990665 4.39904156 8.05559482 -2.76128420 C 22.28220450 24.28278197 25.56210000 20.23906578 -16.91245839 10.91347681 C 21.13362859 25.32702941 25.57034430 -20.07202510 16.13730057 2.02274533 C 23.93053670 24.05473499 23.84861661 -4.16432974 -8.92071981 4.94974340 C 25.63661615 25.12482515 23.65415931 21.57019770 16.79504511 24.54245963 C 25.29869006 24.02703435 25.26735611 -1.85189985 0.92129920 -1.74768378 C 23.83533445 25.24148635 25.58611608 3.59702666 -0.09187838 3.76315935