32 Lattice="58.625 0.0 0.0 0.0 58.625 0.0 0.0 0.0 58.625" Properties=species:S:1:pos:R:3:forces:R:3 energy=43.826534877028266 stress="-0.0003354674496969408 -2.089961340105451e-06 8.656784136069832e-05 -2.089961340105451e-06 -0.00038411669124342377 -8.697168595184829e-05 8.656784136069832e-05 -8.697168595184829e-05 -0.00039469443785976544" free_energy=43.826534877028266 pbc="F F F" N 29.36681838 29.53327037 29.24028236 -0.31665868 -0.23703848 -0.37013812 N 31.23645151 31.54654923 29.16442370 0.09528153 -0.60734850 -3.65386652 N 31.46258016 29.08155350 31.34709106 -0.43591812 -3.45351621 -0.66716804 N 29.10587850 31.53532319 31.33688116 -3.48447167 0.41979914 -0.50360276 N 33.25204788 29.44942569 29.15771441 -1.17424206 -1.46177106 -1.46371052 N 35.58411721 31.41410105 29.22893312 1.69134880 -0.92786230 -2.35795624 N 35.48846780 29.48100479 31.22474423 0.15711603 0.33364848 -2.25158565 N 33.68178244 31.21221724 31.56800196 2.14603390 -4.22986237 2.54417670 N 29.17163748 33.40167664 29.25667160 -0.78263098 -0.88864895 -1.31224054 N 31.17293735 35.40788689 29.24301299 -2.10583711 1.09796685 -0.83097029 N 31.39552904 33.68822135 31.65117662 0.69294398 1.90542617 0.42272803 N 29.08428775 35.61127621 31.22092796 -0.92230267 1.70121301 -0.74812955 N 33.65183504 33.41135700 29.50894881 3.89109882 -1.95679671 -0.54078353 N 35.61645143 35.40656792 29.06496943 1.85747479 0.95639773 -1.09318210 N 35.46781084 33.68402743 31.23112471 -0.64997142 3.06869791 -4.00307021 N 33.48946192 35.37652915 31.32873638 1.76321051 -1.78542273 0.36645307 N 29.46339258 29.16937768 33.54697266 -1.16539347 -2.36787211 0.03069996 N 31.48954375 31.62392296 33.49800023 1.42170436 4.14172188 0.98571128 N 31.61647290 29.28276664 35.47574673 2.08088178 -0.87284043 0.35914854 N 29.37280118 31.57607781 35.79253830 -1.56577194 2.13805137 1.82217225 N 33.30768483 29.13108079 33.55339339 -0.52979443 -2.31893834 -0.05757394 N 35.74996120 31.42304794 33.39975648 0.84450540 0.58840110 1.33468659 N 35.82467940 29.21142598 35.38719231 1.27840433 -1.15896571 0.56770335 N 33.27604260 31.17145293 35.70721735 -1.80177851 -0.90090059 0.84381507 N 29.11607717 33.37516456 33.84378765 -1.94432998 -0.93840873 1.80715459 N 31.65606379 35.74828171 33.46217452 0.53287021 1.28491321 2.23687083 N 31.30667391 33.46801992 35.70176000 -1.21301812 -2.83552624 2.19515916 N 29.20771549 35.72475339 35.39845705 -1.71123707 1.29251424 0.41101108 N 33.40423000 33.74807045 33.48561409 -0.15602807 3.76556214 1.26860912 N 35.47763056 35.73616343 33.47509270 1.18532109 2.69952443 0.71496038 N 35.34558599 33.26463238 35.47326192 1.04142831 -1.86292598 0.85764865 N 33.41597623 35.81237782 35.46740080 -0.72023951 3.41080778 1.08526936