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=121.24222490258704 stress="-0.009290986676690404 -0.00025756895462796995 0.00041950485175072406 -0.00025756895462796995 -0.008063058441408361 0.00018887968512969804 0.00041950485175072406 0.00018887968512969804 -0.009154502182747003" free_energy=121.24222490258704 pbc="F F F" W 20.85540510 21.11115480 21.11044915 -16.35203713 -11.96556992 -11.75046910 W 22.70960170 22.34512630 20.83833517 4.94390607 6.99458900 -22.79310208 W 22.28829595 20.83509776 22.64041416 0.24863123 -20.00892751 7.47476090 W 20.77812781 22.54477821 22.05164101 -20.84672589 1.43331680 3.56051257 W 23.87679405 20.95894820 21.20259391 -2.17517934 -23.48510165 -19.14235575 W 25.56504129 22.20865944 20.86550211 23.14722228 4.19648294 -22.75539637 W 25.28802619 21.22277084 22.64959813 15.58819542 -14.59774647 2.16240152 W 24.08946353 22.45141636 22.34863482 -1.22200543 -4.68617788 0.47701283 W 21.26959405 24.17626233 20.85402479 -12.74308566 -1.08645751 -22.68008713 W 22.70996341 25.49207130 21.15300231 2.68974454 24.85375751 -22.87046374 W 22.53848316 23.95774659 22.71726984 -8.14467149 -17.85176916 14.30160613 W 20.95789336 25.38825682 22.27041603 -25.54122931 22.90642163 0.77741564 W 24.19178619 24.17895518 21.29140871 4.27837405 -5.76723643 -27.88648656 W 25.61455359 25.53253581 21.14904689 20.42309329 17.57068324 -15.77099865 W 25.28091226 24.10609294 22.23894969 25.57426147 -10.71301593 -1.89024972 W 23.80598025 25.32157598 22.39451785 -6.65223190 25.76431666 1.65018167 W 20.85198705 20.97567541 24.06329927 -22.87955410 -14.11465716 -6.97313592 W 22.29882101 22.33682392 23.99451428 7.20490185 -0.03522593 -7.04971238 W 22.08772457 20.84140700 25.31668137 2.16982188 -25.99145513 14.76426107 W 20.91986395 22.24396547 25.59073906 -19.08650315 10.05168779 19.18532759 W 24.25413394 20.93381326 24.05134784 -8.16409348 -20.82372645 5.15869154 W 25.75978669 22.22592512 23.98574937 19.97130507 11.15912271 0.33193498 W 25.68365717 21.20288723 25.58343331 9.31021891 -6.09776565 17.06270402 W 23.49928362 22.44809454 25.72094491 14.31727157 1.97310305 18.78624594 W 21.23171545 24.18190327 23.72268664 -24.71151943 -5.83905253 -8.17490342 W 22.71219253 25.42485375 24.12990665 4.62260234 30.02554050 -4.95833172 W 22.28013997 24.28278197 25.56210000 -4.62668714 -4.07164128 23.62943940 W 21.13362859 25.32702941 25.57034430 -19.59470986 13.20258671 19.02185023 W 24.04852473 24.05473499 23.91561068 1.40151819 -14.33728688 6.65344191 W 25.63661615 25.40480033 23.87719504 19.67094997 21.27506562 2.92487907 W 25.29869006 24.11041876 25.26735611 13.21618256 -7.30543136 14.96488513 W 23.83533445 25.24148635 25.58611608 3.96203262 17.37157067 21.80814040