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=-33.1719741128125 stress="1.6485007546547124 0.9575174976660072 0.1885738462719857 0.9575174976660072 -0.46812088945914354 4.369368737315021 0.1885738462719857 4.369368737315021 22.803150001108687" pbc="F F F" C -0.14459490 0.33096007 0.41022570 -1.41596773 -7.93540066 -5.31081386 C 1.89503975 1.26604393 -0.16166483 0.18469365 -0.66667742 -2.61364698 C 1.36157532 -0.16490224 1.84031139 0.18135368 -2.83475969 -0.89112670 C -0.22187219 1.64840085 1.20260311 -3.26997390 5.98110805 3.45355275 C 3.03399812 -0.04105180 -0.03175763 0.02308932 -1.63583326 -1.29548986 C 4.56504129 1.09373544 -0.13449789 1.90698024 -0.93166189 -0.84447419 C 4.28802619 0.22277084 1.68584377 -3.00838583 10.93325179 11.56875182 C 3.18362810 1.69581920 1.94453463 14.03058765 7.76021036 7.67246073 C 0.26959405 3.15899924 -0.14597521 -1.60980814 0.57703948 -2.62577115 C 1.70996341 4.35272796 0.15300231 2.96862647 1.70568055 1.94354516 C 1.53848316 2.95774659 1.58941769 4.39909670 7.35108084 5.66670185 C -0.04210664 4.38825682 1.24052727 -3.06680207 2.53227381 -0.56869570 C 3.19178619 3.17895518 0.29140871 -0.22010992 1.14763352 5.16451816 C 4.31675677 4.25009467 0.00446120 4.42487485 0.62444707 1.75272483 C 4.28091226 3.10609294 1.46603997 -12.22185279 0.42555436 -0.51867911 C 2.70515173 4.32157598 1.51361598 -5.86187977 -11.12398530 0.98755492 C -0.14801295 -0.02432459 3.32565265 -2.32876594 -2.04795887 0.39603173 C 1.28583539 1.48852212 3.20663159 -0.68864525 -0.24048750 0.08323168 C 1.29095510 -0.15859300 4.31668137 -0.37418875 -2.80762721 1.90777502 C -0.08013605 1.53991219 4.59073906 -2.77157207 -0.04193838 2.46350848 C 3.27219963 -0.06618674 3.13132919 5.02580104 -0.62442349 -5.05972383 C 4.75021523 1.22592512 2.78504734 -7.67909274 -6.70791012 -10.03427664 C 4.54052915 0.17953135 4.60544624 1.63398231 -0.79498307 1.38607687 C 2.61219751 1.37343695 4.72094491 0.36387238 -0.16318432 3.21080818 C 0.21737821 2.99633434 2.86559668 2.84108269 4.17507849 -0.41140765 C 1.43270782 4.23208307 2.89163333 1.06224153 -8.99153861 -1.34776934 C 1.33552654 3.28278197 4.44646474 5.69549371 1.92820627 -0.99959651 C 0.36473547 4.32518963 4.57034430 -2.94890508 4.74953503 -1.44008731 C 3.04852473 3.05473499 2.91561068 6.67544670 -1.28833455 -7.97327023 C 4.63661615 4.41763309 3.07790845 0.50702401 -1.94449261 2.90402366 C 4.12727043 3.25762684 4.35677955 -9.09177058 7.17342834 -7.52544931 C 2.83533445 4.19855060 4.58611608 4.63347364 -6.28333100 -1.10098748