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=84020.77484477073 stress="-337219.9179147799 -69835.409298424 -13425.870762624949 -69835.409298424 -355918.24510986416 -48060.21121273299 -13425.870762624949 -48060.21121273299 -339254.17051427806" pbc="F F F" Na 0.03400077 -0.01621735 -0.14426701 -2660.19019875 27.62299410 -2299.12545891 Na 2.01064847 1.45411559 0.03597200 -12236.53909009 10468.14302155 -4682.63351750 Na 1.51671824 -0.18776627 1.05406855 -2237.69237263 -2871.07927381 6603.51055165 Na 0.14801786 1.51345672 1.54704894 -1687.52937196 -133.36319994 -948.84214249 Na 2.92225213 0.00175286 -0.10438261 9828.26674640 -12737.34947739 -5502.99100311 Na 4.30024723 1.35587627 0.20265636 43843.79754414 -23792.94804065 -40256.64468887 Na 4.58301704 0.32862287 1.84775942 5239.97523318 -2615.58215342 -2643.97480573 Na 3.28244035 1.70868000 1.31754225 -108451.89665652 -87216.39751329 39109.37424667 Na 0.24273186 3.12752652 -0.13506474 -19901.26645808 -14596.96788055 -4103.80084137 Na 1.47434815 4.23484920 -0.21259812 15861.78895625 17186.02405368 -5415.48969379 Na 1.33911352 3.18636115 1.32627193 3677.40749527 -4182.26893338 6360.15895365 Na -0.01037659 4.57386837 1.79853723 -8777.42061263 4706.31896352 -7600.54329807 Na 3.45442781 2.83266767 0.14074712 -14701.06667192 26985.47796490 -44204.33952926 Na 4.27236183 4.65329609 -0.18694829 3536.35152379 2364.40197688 -3600.44083312 Na 4.24037478 2.78055206 1.58048688 97459.64575336 77843.23699672 33901.15258672 Na 3.06790443 4.27922441 1.19420070 -3911.47277234 9706.88982606 1883.98956073 Na -0.15546864 0.23087589 3.26405185 -18629.22332739 -29767.56379688 -20987.49488077 Na 1.32943081 1.12389951 3.18513970 25589.47226927 -131.26895880 -32418.98505912 Na 1.79456121 -0.07829464 4.57992722 -197.86597036 -5038.42872155 3759.78937566 Na 0.23710215 1.36242343 4.33488813 -15713.27415691 28278.65009888 46265.90024369 Na 3.42080901 -0.21942327 3.17363102 -27557.92365200 -9898.49828131 -42603.04690357 Na 4.57925912 1.61217790 3.36992954 1174.29277869 -4159.34785302 -4274.97053724 Na 4.14687435 0.00084199 4.52551607 24724.02241656 5990.08495021 46733.57040693 Na 2.63948333 1.64995558 4.23806483 29239.75029595 -36435.72314559 9455.36540130 Na 0.11348656 3.26750623 3.13368806 -4692.15654266 -6635.77060192 2724.64048129 Na 1.43781645 4.53734033 2.82918329 9409.02892960 5918.83621173 3811.50808250 Na 1.91528563 3.03048707 4.12964214 -26546.00216646 36150.23073555 2153.68721870 Na 0.33926678 4.61866820 4.64234879 -595.52254863 1182.30924862 1851.48202889 Na 3.02717610 3.22728868 2.70972500 -9740.28842136 -1759.63532167 7661.26296621 Na 4.50566932 4.24633082 3.02948597 5186.98037914 6126.61053900 -232.36608093 Na 4.69023471 2.99249225 4.49130847 1049.06871254 4705.95360328 7593.99534480 Na 2.77361874 4.59634280 4.64028688 2417.48195652 4331.40196845 1906.30182447