32 Lattice="3.0 0.0 0.0 0.0 3.0 0.0 0.0 0.0 3.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=11586.765236008672 stress="-19927.336339352012 -16645.53605218053 -5521.51777429619 -16645.53605218053 -45310.71792818303 -7860.232679456763 -5521.51777429619 -7860.232679456763 -17077.07036783937" pbc="F F F" user01 0.15308964 0.09389170 -0.02889418 9.19977708 2.76410216 8.99453572 user01 1.13049781 0.53154574 0.10068855 -181.43007094 957.45467681 -556.44973941 user01 0.38667692 0.04515131 1.10253147 -50609.79836612 -78161.85579012 -30481.97125762 user01 0.07407454 0.92589345 0.56877306 -50.42429368 -126.77719561 58.95153119 user01 1.23366604 -0.06440768 0.44382291 -362.78111625 -1224.92937162 375.77501790 user01 2.33705422 0.27500292 -0.14883513 4.52198965 1.76664026 -5.67847064 user01 1.85245726 0.26653254 0.65635906 -988.84666149 -25190.25043174 -79.06590402 user01 1.87636801 0.75304853 0.65857676 1237.66669856 25356.59779328 153.55612294 user01 0.32291609 1.56062707 0.08513167 -133.74392830 -1.48451102 -717.20198707 user01 0.95812362 2.25490405 0.35371572 -3612.83697213 3545.06169071 -8644.17394342 user01 0.61706352 1.60495466 0.75794501 842.60234584 -1015.96289112 -1824.78385331 user01 -0.08504239 1.85147395 0.73778048 -637.88616219 258.84167193 -8.57268042 user01 1.69178619 1.46500297 0.29140871 -1218.95444098 -1265.74435429 -937.87961683 user01 2.15679982 2.01468546 0.14945715 1373.14484511 1663.80745966 -4576.04832957 user01 2.03091226 1.86160541 0.71603997 -15.03975085 -569.51672394 3172.34682536 user01 1.16042648 2.06346479 0.82844294 4243.18638311 -2913.30900652 8672.11712492 user01 -0.12979912 -0.05469235 1.71916140 -114.53522599 -19.73842523 137.54416302 user01 0.59140989 0.36073457 1.22501028 50730.23439518 78186.99951763 30339.16800061 user01 0.71162850 0.08984619 2.21100798 7.65149620 -45.10567567 -22.16383229 user01 0.16836137 0.75308437 2.44955220 -19.93013304 30.89101408 5.78178083 user01 1.90470219 0.03412477 1.68575499 -24.94155295 -1.45419559 6.03005144 user01 2.50978669 0.33024382 1.06516445 323.35098764 -0.85394407 174.91765438 user01 2.49157247 -0.06323782 2.41845258 6.94208772 -1.15170190 8.66707857 user01 1.36188791 0.70502810 2.39960811 14.96334845 14.74370337 1.41111183 user01 0.42054702 1.68146202 1.36497464 -731.21233271 219.52866787 2353.15253684 user01 0.91051436 2.14152617 1.90134557 1267.96610188 3221.41215675 -3796.81836819 user01 0.53220450 1.78278197 2.21505338 6158.91906220 -9101.00967811 -2496.63104761 user01 0.13362859 2.07702941 2.42373283 -8945.47287666 6597.32664146 4683.33978002 user01 1.79611640 1.66491802 1.34079265 -3829.49105570 -5235.46620449 1165.17569019 user01 2.13325137 2.14182522 1.32577390 3683.30059495 5500.77596912 1131.34781448 user01 2.23712102 1.78103176 2.30905418 7.50311121 -0.94408786 -7.48760292 user01 1.30396447 1.93779273 2.37462694 1566.17171520 -682.41751618 1706.64981309