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=84329.86263919946 stress="-3.6434694481986183 0.3381823404102218 -0.7365208274597888 0.3381823404102218 -5.062118320942418 0.8556544566957416 -0.7365208274597888 0.8556544566957416 -5.006567573610244" free_energy=84329.86263919946 pbc="F F F" Xe 20.88909689 21.13714415 21.07420351 -8650.10023543 -24896.95997435 -33547.53928652 Xe 22.61543713 22.31143450 21.13708343 -65.16603696 4486.40273154 -4310.48601173 Xe 22.06120567 20.89345311 22.38687053 15005.59774069 -13342.87084666 5049.57193799 Xe 20.97882984 22.22221844 22.22919618 -8062.63366208 35849.41170516 25994.91726809 Xe 23.87472952 20.95894820 21.48446629 170.72347156 -5034.29348860 -3260.32603016 Xe 25.57505321 22.19319283 20.96720332 1371.46511461 849.48180751 -2502.45409515 Xe 25.28802619 21.22277084 22.68584377 -3741.72868307 -32835.87898767 -33740.18993842 Xe 24.18362810 22.69581920 22.52478374 -11354.32115349 -11806.84022402 2604.83978558 Xe 20.98863791 24.17708835 20.85402479 -381.06838967 -1615.70539938 -2207.49150935 Xe 22.70996341 25.49207130 21.15300231 -7096.72246557 3478.45860248 -8791.66520622 Xe 22.78472413 23.95774659 22.56154559 -10131.77877421 -10888.11026643 -275.26414625 Xe 20.81288230 25.38825682 22.38084462 -2828.56947010 7899.26253931 -3784.17319267 Xe 24.19178619 24.17895518 21.29140871 -17426.56824586 -7935.58988971 -34304.17016302 Xe 25.46968210 25.44587465 20.99560180 4693.16494516 5022.64499250 -2013.13267978 Xe 25.28091226 23.97850529 22.46603997 32557.70005734 6191.23902391 20162.58634283 Xe 23.80598025 25.32157598 22.51361598 10107.58427782 21907.07053372 14139.90689062 Xe 20.85198705 20.88616701 23.78616347 -6544.33527733 -2879.47498189 3097.95134996 Xe 22.37603515 22.03052278 24.14940211 -20.47131919 117178.44506914 -110618.46015230 Xe 22.40115360 21.00571782 25.13093867 3713.29881675 -117146.05614982 111221.11095059 Xe 20.90830460 22.27674260 25.49045880 -2831.14664159 1629.56381485 1982.76299355 Xe 24.27219963 20.89478999 24.13132919 -9326.47312185 -6127.77584454 -532.00912155 Xe 25.75978669 22.22592512 23.78504734 17532.83012985 33701.09810564 26029.60756293 Xe 25.46585024 21.42102615 25.35059400 14797.17229670 -7558.16462461 10815.64320354 Xe 23.98995639 22.27905951 25.60295688 -9937.56151545 7466.18745812 3668.72750615 Xe 21.23171545 24.11490920 23.54185980 -4817.06933254 -8025.71038346 7143.19747946 Xe 22.48915680 25.42485375 24.12990665 328.68951905 8479.51977298 -5453.91469567 Xe 22.28220450 24.28278197 25.56210000 30283.39280489 -39214.96088874 7075.68697369 Xe 21.13362859 25.32702941 25.48695988 -38507.81132043 32977.96736348 93.32493599 Xe 24.01364665 24.28060060 24.20952263 -15235.51798445 -15151.09380448 -21227.06657451 Xe 25.36276144 25.40480033 23.89822649 7418.56471044 9070.45742222 -2704.31963734 Xe 25.29869006 24.11041876 25.26735611 17754.04239526 -6757.79070905 14102.04086601 Xe 23.83533445 25.24148635 25.58611608 1224.81734915 15030.06552085 16090.78639368