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=-83.61533066932755 stress="0.0021133224962472693 -0.0002890136131727077 0.0001860823138564491 -0.0002890136131727077 0.0021095192729499238 0.00029723144280879166 0.0001860823138564491 0.00029723144280879166 0.0021946879118951075" free_energy=-83.61533066932755 pbc="F F F" C 20.85540510 21.11115480 21.11044915 3.78136168 4.70337256 5.83696387 C 22.70960170 22.31143450 20.83833517 1.90799501 -1.26756981 5.75417627 C 22.28829595 20.83509776 22.67410596 -0.29713480 5.53193099 -0.78830414 C 20.77812781 22.51878885 22.32834452 4.16305062 -0.69253616 -4.44321833 C 23.90278341 20.95894820 21.20259391 -1.23118041 7.69581633 2.55969212 C 25.56504129 22.20865944 20.86550211 -4.44358524 -1.72267095 4.31454438 C 25.28802619 21.22277084 22.68584377 -2.13505412 10.13704777 6.23548242 C 24.18362810 22.69581920 22.64685009 1.13389711 7.86494040 -0.18098903 C 21.26959405 23.89955883 20.85402479 1.91699127 -0.46766686 7.67645267 C 22.67371777 25.49207130 21.15300231 1.53742439 -0.80943150 9.07631177 C 22.53848316 23.95774659 22.32435701 2.24633531 0.96106188 1.89468668 C 20.95789336 25.38825682 22.02601319 3.53050720 -3.50511504 -3.00441510 C 24.19178619 24.17895518 21.29140871 5.97190489 1.54672010 14.42153699 C 25.61455359 25.53253581 21.14904689 -3.56285934 -5.75587542 2.34442729 C 25.28091226 24.10609294 22.46603997 -13.20329688 1.95629083 -1.76670583 C 23.50776497 25.32157598 22.51361598 -6.02012619 -10.86781440 -3.04028323 C 20.85198705 20.97567541 24.36204753 2.76235641 1.21101308 4.77791204 C 22.43745442 22.05137829 23.99451428 4.62482993 -4.66284406 -3.76032736 C 22.22217006 20.84140700 25.31668137 -1.43530565 3.05722067 -4.01998563 C 20.91986395 22.24396547 25.59073906 -1.15612250 -1.44945018 -1.64254577 C 24.13356622 20.93381326 24.13132919 -1.39749496 3.34029921 0.89893637 C 25.75978669 22.22592512 23.78504734 -1.78772523 -6.80679484 -4.98393795 C 25.68365717 21.20288723 25.58343331 -4.37161597 3.41705225 -5.19591192 C 23.85420938 22.44809454 25.72094491 1.06269652 -3.48521929 -3.18744707 C 21.23171545 23.92835964 23.82183498 5.79608830 -1.39927171 -5.81792854 C 22.71219253 25.42485375 24.12990665 5.74893684 -4.30141534 -8.48101568 C 22.28220450 24.28278197 25.56210000 -10.73500252 12.10975241 0.64948943 C 21.13362859 25.32702941 25.57034430 10.92320202 -11.74260387 1.48516693 C 24.04852473 24.05473499 23.91561068 2.64607956 3.24739998 -10.83624645 C 25.61855046 25.40480033 23.87719504 -1.84245111 -7.20235634 -1.85036406 C 25.29869006 24.11041876 25.18737476 -15.86752061 9.74287425 -1.10413845 C 24.03603648 24.94491594 25.58611608 9.73281846 -10.38415692 -3.82201468