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=-33.17197411281255 stress="2.2250577079365426e-05 1.2924056495870584e-05 2.5452684142121394e-06 1.2924056495870584e-05 -6.318444140185689e-06 5.897539058032143e-05 2.5452684142121394e-06 5.897539058032143e-05 0.00030778466149861914" pbc="F F F" C 20.85540510 21.33096007 21.41022570 -1.41596773 -7.93540066 -5.31081386 C 22.89503975 22.26604393 20.83833517 0.18469365 -0.66667742 -2.61364698 C 22.36157532 20.83509776 22.84031139 0.18135368 -2.83475969 -0.89112670 C 20.77812781 22.64840085 22.20260311 -3.26997390 5.98110805 3.45355275 C 24.03399812 20.95894820 20.96824237 0.02308932 -1.63583326 -1.29548986 C 25.56504129 22.09373544 20.86550211 1.90698024 -0.93166189 -0.84447419 C 25.28802619 21.22277084 22.68584377 -3.00838583 10.93325179 11.56875182 C 24.18362810 22.69581920 22.94453463 14.03058765 7.76021036 7.67246073 C 21.26959405 24.15899924 20.85402479 -1.60980814 0.57703948 -2.62577115 C 22.70996341 25.35272796 21.15300231 2.96862647 1.70568055 1.94354516 C 22.53848316 23.95774659 22.58941769 4.39909670 7.35108084 5.66670185 C 20.95789336 25.38825682 22.24052727 -3.06680207 2.53227381 -0.56869570 C 24.19178619 24.17895518 21.29140871 -0.22010992 1.14763352 5.16451816 C 25.31675677 25.25009467 21.00446120 4.42487485 0.62444707 1.75272483 C 25.28091226 24.10609294 22.46603997 -12.22185279 0.42555436 -0.51867911 C 23.70515173 25.32157598 22.51361598 -5.86187977 -11.12398530 0.98755492 C 20.85198705 20.97567541 24.32565265 -2.32876594 -2.04795887 0.39603173 C 22.28583539 22.48852212 24.20663159 -0.68864525 -0.24048750 0.08323168 C 22.29095510 20.84140700 25.31668137 -0.37418875 -2.80762721 1.90777502 C 20.91986395 22.53991219 25.59073906 -2.77157207 -0.04193838 2.46350848 C 24.27219963 20.93381326 24.13132919 5.02580104 -0.62442349 -5.05972383 C 25.75021523 22.22592512 23.78504734 -7.67909274 -6.70791012 -10.03427664 C 25.54052915 21.17953135 25.60544624 1.63398231 -0.79498307 1.38607687 C 23.61219751 22.37343695 25.72094491 0.36387238 -0.16318432 3.21080818 C 21.21737821 23.99633434 23.86559668 2.84108269 4.17507849 -0.41140765 C 22.43270782 25.23208307 23.89163333 1.06224153 -8.99153861 -1.34776934 C 22.33552654 24.28278197 25.44646474 5.69549371 1.92820627 -0.99959651 C 21.36473547 25.32518963 25.57034430 -2.94890508 4.74953503 -1.44008731 C 24.04852473 24.05473499 23.91561068 6.67544670 -1.28833455 -7.97327023 C 25.63661615 25.41763309 24.07790845 0.50702401 -1.94449261 2.90402366 C 25.12727043 24.25762684 25.35677955 -9.09177058 7.17342834 -7.52544931 C 23.83533445 25.19855060 25.58611608 4.63347364 -6.28333100 -1.10098748