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=-3.47480070963331 stress="0.00011672364533864975 -3.97773796980296e-06 -3.771863303983741e-05 -3.97773796980296e-06 0.00022937503519322643 0.00011669581788560536 -3.771863303983741e-05 0.00011669581788560536 0.00014382779641948038" free_energy=-3.47480070963331 pbc="F F F" H 21.05521368 21.11991588 21.33031403 0.00954856 4.23567781 3.84595391 H 22.20342959 22.27511025 20.99793547 -0.34276485 0.84586442 -0.27953983 H 22.78187239 21.16721599 22.48453339 2.43281223 3.24241656 -0.25840886 H 21.10170120 22.14358211 22.21904386 -0.48590423 -4.54533188 -3.65896775 H 23.88590202 21.24624097 21.14302402 -0.08701391 0.16925008 0.16228239 H 25.65267347 22.59316550 21.07012791 -0.02588724 0.30125754 0.21859434 H 25.52602462 21.02291837 22.11554201 0.07928207 -0.10248183 0.08431377 H 23.56411376 22.37241235 22.32230844 -2.03775183 -3.63738041 0.22770889 H 21.17284498 23.57124517 21.14863427 1.07938598 -0.22064753 0.32512737 H 22.46417151 25.60457473 21.35583213 -0.53169050 -0.80908135 0.64591104 H 22.35956205 24.15473936 22.17112928 -0.44313065 0.64875682 -0.95585020 H 20.96508478 25.55479006 22.21606322 0.34812300 0.07373700 -0.21179233 H 23.79900377 23.94663949 20.82595478 0.03229280 -0.02228036 -0.11093385 H 25.43865422 25.45990059 21.00133168 0.01903468 0.02365724 -0.00816567 H 25.33096497 23.64373864 22.43300593 -0.32851371 -0.12163868 0.28788618 H 23.77334686 25.16132900 22.64772247 -0.01946110 -0.22505073 0.25898891 H 20.96328214 21.22586561 24.29391194 1.13002345 3.56081267 3.14423294 H 22.23897805 22.72174485 23.60619392 -3.29688379 3.38079239 1.50124535 H 22.82941012 20.98305184 25.69280282 0.02271681 -0.04113835 0.04320763 H 21.30284152 22.27538150 25.20296332 -1.25366804 -3.63084005 -3.06866306 H 23.84887301 20.93405005 23.78984966 -0.10612678 -0.02339062 -0.11911064 H 25.70471875 22.20903928 24.11082498 0.06406730 0.03186269 -0.04805660 H 25.47331733 20.82866346 25.48547102 0.00152874 -0.05533182 0.05748968 H 24.09184131 22.82603452 25.35813812 -0.05822198 -0.04191366 0.07565221 H 21.27048131 23.67007422 24.01359724 3.43458810 -3.24108814 -1.18782200 H 22.72822355 25.60774884 24.07081195 -0.78160753 0.04653603 0.57442677 H 21.99971780 23.90265726 25.47662284 -0.06636530 -0.09362846 -0.16244670 H 21.43589263 25.66448413 25.13994269 0.75903524 0.07030014 -0.66566257 H 24.27711528 23.87871118 23.75213077 0.31125762 0.05808711 -0.81521199 H 25.23125112 25.46674094 24.13616082 -0.89568330 0.09911076 1.40095996 H 25.52341150 24.31987543 25.57412398 -0.51603880 0.54226702 -0.01813425 H 24.29977655 25.46555516 25.45460942 1.55301697 -0.51916241 -1.28521507