32 Lattice="62.73327827453613 0.0 0.0 0.0 62.73327827453613 0.0 0.0 0.0 62.73327827453613" Properties=species:S:1:pos:R:3:forces:R:3 energy=-113.77441660684411 stress="-0.0001543961572873374 3.7275803847105066e-06 -1.536536845288087e-05 3.7275803847105066e-06 -0.00012808625829384713 -6.830152283851854e-06 -1.536536845288087e-05 -6.830152283851854e-06 -0.00013772930169445786" free_energy=-113.77441660684411 pbc="F F F" U 31.27421988 31.45926813 31.45868010 -1.15034997 -0.79042032 -1.10340004 U 33.80343924 33.21938920 31.48087533 0.11910560 3.29018192 -2.33730455 U 33.43069332 31.27785006 33.51283880 1.08435809 -2.00282245 2.66018450 U 31.34899734 33.37562873 33.38144351 -1.20406942 2.26754339 1.43339276 U 35.74491596 31.33070886 31.77036105 1.09992836 -1.86449265 -0.73237438 U 38.15060615 33.35144072 31.33930857 0.47878977 0.39894350 -0.53853279 U 37.91141697 31.55228150 33.76198317 0.70496694 -2.07269272 -1.35361275 U 36.00061100 33.77029603 33.62776648 -1.93643802 0.32617638 1.15985208 U 31.35717073 35.99447286 31.24568147 0.28789379 -0.46492526 0.43452069 U 33.98728368 38.08145456 31.49414106 -0.82200928 1.44973886 -1.85392974 U 33.63918266 35.81237641 33.53921467 -1.66341084 -2.38347403 0.57928038 U 31.33155027 37.99494249 33.41579339 -0.34745343 -0.02748208 0.09229014 U 36.00740941 35.99671690 31.60947973 -0.42407240 -1.93227063 -4.23648907 U 38.30270982 37.99433243 31.49084488 -0.17493034 -0.36713136 0.50913632 U 37.90548869 35.93599837 33.57881334 3.69421130 -0.43734317 1.14676799 U 35.68590446 37.93937513 33.61846001 -0.08455500 3.58879974 2.35402691 U 31.24329502 31.43839248 35.90033697 -1.05520492 -0.73216323 -0.78478276 U 33.55499205 33.42250384 36.01757552 0.80128272 1.81872458 -1.76194421 U 33.47483686 31.23447830 37.81457004 0.77350797 -1.80897128 0.94376713 U 31.34386504 33.39375125 38.09146005 -0.74862168 1.18866789 0.61993089 U 36.07442061 31.31148352 35.95702858 -0.95556302 -1.13152572 0.12012379 U 38.30455072 33.37871763 35.66846037 1.26167922 2.19978989 2.39061586 U 38.24110945 31.53571183 38.15758957 -0.53669593 0.65796635 -0.73071441 U 35.54959503 33.56385881 38.16585953 0.68013727 0.91721027 0.38791478 U 31.55973535 35.99917365 35.69911673 -1.40568117 -1.73155337 -1.34615187 U 33.63586417 38.02543993 35.95584313 0.69178233 2.36685528 -1.73674187 U 33.42561711 36.08323923 38.13981181 0.69222431 -2.04104620 1.65129183 U 31.47799630 37.94391965 38.14668206 -0.87015937 0.65526480 0.79369007 U 35.81343453 35.89320008 35.77726316 -0.46475068 -1.94131063 0.26577887 U 38.20190860 38.00872875 35.74525012 0.64114616 0.81485451 -0.54414980 U 37.92030353 35.93960322 37.66324540 0.71362532 -1.01912040 0.46298943 U 35.65918356 37.87263377 38.15982521 0.11932633 0.80802816 1.05457380