32 Lattice="8.214255533725735 0.0 0.0 0.0 8.214255533725735 0.0 0.0 0.0 8.214255533725735" Properties=species:S:1:pos:R:3:forces:R:3 energy=-136.47639892593858 stress="-0.016599429527566538 -0.003304055161803237 -0.0022841523288275327 -0.003304055161803237 -0.016052627633964384 0.004957667516730594 -0.0022841523288275327 0.004957667516730594 -0.01543379584162836" free_energy=-136.47639892593858 pbc="F F F" W 0.02689865 0.02363038 0.00942381 -0.28326009 -0.10100082 -0.08670342 W 2.06653342 2.05504913 0.01916860 0.87710141 1.03497076 -0.36014998 W 2.05834295 0.00631958 2.05014305 0.97446641 -0.68863771 0.88093527 W 0.02413685 2.07018644 2.08844096 -0.76774694 0.91003810 0.38899182 W 4.12882704 0.00098531 0.01398166 -1.16851821 -0.41662365 -0.67626814 W 6.14369560 2.05796498 0.04033753 0.72755231 0.73952600 -0.83794502 W 6.12951481 0.01761349 2.02808748 1.21066162 -0.83316682 1.08767592 W 4.12220199 2.02172065 2.09162288 -1.93165001 2.11725298 0.49121314 W 0.01192074 4.12756529 0.04018061 -0.52101348 -1.06587775 -0.44412118 W 2.03460546 6.14933912 0.03226745 1.18580329 0.40478988 -0.55900565 W 2.05014740 4.11223954 2.09095156 1.49811477 -1.71423761 0.74027987 W 0.02577565 6.16886231 2.08063098 -0.64226342 0.48543761 0.88368728 W 4.11728077 4.07709943 0.02016623 -1.27251791 -0.44053393 -0.28460158 W 6.17017388 6.11440940 0.06216976 0.04832095 0.32702743 -0.17959150 W 6.15949436 4.08318375 2.06692439 0.48632512 -0.60105601 0.97911580 W 4.07354126 6.13160531 2.08997711 -0.54580649 0.56859684 0.40905009 W 0.01372298 0.01856814 4.08587534 -0.66349551 -0.70401763 -0.45963893 W 2.03939208 2.03551578 4.11779750 1.94190165 1.61545021 -0.99207234 W 2.03248897 0.02862656 6.16310766 1.34547549 -0.68148427 0.27738081 W 0.03381245 2.05437283 6.16476367 -0.97426841 0.74142719 0.49491209 W 4.14001988 0.01639021 4.07537119 -1.35240377 -0.69500371 0.30315406 W 6.16582440 2.07766274 4.09903781 0.85032247 0.42472313 -0.32612908 W 6.16126154 0.03335181 6.17265028 0.08798772 -0.08007115 -0.01954037 W 4.12036428 2.07280239 6.18754849 -1.03344442 0.51080827 0.17028698 W 0.02568013 4.12406497 4.14511930 -0.98455409 -1.56857173 -1.44332751 W 2.04781122 6.12130473 4.13215664 1.25432761 0.89607555 -1.08985862 W 2.04204347 4.09358370 6.19753790 1.58314810 -0.92915597 0.44056112 W 0.03330352 6.11986440 6.12389029 -0.62564028 0.79659990 0.85540564 W 4.12354851 4.08023439 4.12531014 -1.75534705 -1.05373560 -0.94855766 W 6.11988721 6.14358711 4.09855985 0.75660456 0.51111192 -0.71972142 W 6.17111461 4.12718715 6.17527036 0.25561535 -0.66066570 0.34528874 W 4.08200529 6.18242987 6.12402854 -0.56179876 0.15000427 0.67929375