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=249.59316721754033 stress="-0.004357239652331483 -1.1563727197561351e-05 -1.3141749197185578e-05 -1.1563727197561351e-05 -0.004076150830930523 -5.447924567926498e-06 -1.3141749197185578e-05 -5.447924567926498e-06 -0.004367650547425567" free_energy=249.59316721754033 pbc="F F F" Na 20.85540510 21.11115480 21.11044915 -5.50276504 -5.78445895 -7.67437719 Na 22.70960170 22.34512630 20.83833517 -2.27365623 -0.32501120 -10.74416999 Na 22.31428531 20.83509776 22.64041416 -0.29304653 -10.33192220 -2.16990550 Na 20.77812781 22.24208535 22.29209888 -9.44691990 2.81429166 -1.09511679 Na 23.78262948 20.95894820 21.20259391 1.50354376 -9.12035490 -6.81134318 Na 25.56504129 21.96425659 20.86550211 6.85354603 -1.16403335 -7.71202803 Na 25.28802619 21.22277084 22.68584377 6.67003349 -9.70544571 -3.39059836 Na 23.88541283 22.69581920 22.64685009 0.76078614 -4.68223252 -2.08486096 Na 21.26959405 24.47501059 20.85402479 -6.83222895 -1.90299967 -10.58291568 Na 22.70996341 25.49207130 21.15300231 0.39254420 9.93158934 -9.01599611 Na 22.53848316 23.95774659 22.41852158 -5.38733792 -0.79566251 -2.04850878 Na 20.95789336 25.38825682 22.04332575 -9.42358135 8.32517748 1.54191236 Na 24.19178619 24.05985705 21.29140871 2.55464402 0.19229239 -13.63686635 Na 25.61455359 25.53253581 21.14904689 6.19805862 5.95459303 -5.53019985 Na 25.28091226 23.96745953 22.46603997 13.35749828 0.42596389 -2.13907155 Na 23.80598025 25.32157598 22.57197133 2.25054918 12.96650006 -0.46307377 Na 20.85198705 20.97567541 23.80975564 -9.28024986 -6.68128151 2.49202304 Na 22.43745442 22.26040289 23.99451428 -2.58352850 -0.34033576 2.76509243 Na 22.26128685 20.84140700 25.31668137 -0.93033110 -8.06205778 8.07410265 Na 20.91986395 22.44466750 25.59073906 -7.21405444 -0.58813697 6.65371154 Na 23.97562921 20.93381326 24.13132919 1.80064864 -9.91907554 3.44185857 Na 25.75978669 22.12677679 23.78504734 11.17056436 -0.08303130 3.13197391 Na 25.68365717 21.20288723 25.58343331 4.60612944 -4.39177752 6.14631274 Na 23.79378950 22.72996693 25.72094491 0.41879936 -3.20424318 10.36193119 Na 21.23171545 24.19191519 23.82183498 -10.81873032 0.69166859 0.56645971 Na 22.71219253 25.42485375 24.11444005 -2.23735150 11.89317051 0.65482333 Na 22.28220450 24.28278197 25.56210000 -1.71729751 -1.92892541 9.62038743 Na 21.13362859 25.32702941 25.57034430 -8.56488470 7.28035058 5.53561750 Na 24.15022594 23.93266864 23.91561068 1.74796004 0.77254221 4.22911942 Na 25.63661615 25.40480033 23.87719504 8.60402934 8.32102236 2.34561018 Na 25.29869006 23.82946262 25.26735611 9.62384990 1.12786879 8.30242476 Na 23.83533445 25.24148635 25.58611608 3.99277905 8.31395508 9.23567135