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=1767.9118791591038 stress="-0.04705652891806548 -0.0016534576267780317 0.0016391862741121897 -0.0016534576267780317 -0.04725012787547077 0.0012086306473934453 0.0016391862741121897 0.0012086306473934453 -0.044067113062028734" free_energy=1767.9118791591038 pbc="F F F" P 20.71904386 21.00082602 21.24624097 -54.00698182 -117.74433627 -98.89059157 P 22.64302402 22.32510017 21.11042859 -106.34542092 24.62484723 -177.30210182 P 22.70947124 20.85512851 22.25501032 -58.74074254 -148.34262246 82.45777591 P 20.91333883 22.34655491 22.37241235 -71.12577054 48.41280819 91.07133606 P 23.82230844 20.91049160 20.72286420 48.47158838 -103.75778296 -114.53133477 P 25.43858073 21.96961306 21.15488783 77.51812753 58.88439630 -80.46811012 P 25.55988540 20.70245745 22.51972513 45.50969332 -88.17497292 38.55728692 P 23.81425730 22.48844065 22.53277713 154.35962120 -87.14110540 63.85025431 P 20.89971974 23.77283284 20.96097674 -44.61539748 2.18348832 -96.66360579 P 22.54454646 25.71813893 20.76716069 -6.09388343 37.50331159 -43.59227281 P 22.69410236 23.83096497 22.38201197 -184.53904691 135.58238330 54.07724580 P 20.93300593 25.22002482 22.27696427 -76.20726595 107.40394267 -72.19040902 P 23.91661558 23.81350288 21.22586561 97.63639203 44.05169124 -285.67312244 P 25.79391194 25.22614529 21.02103145 86.33546217 73.16694869 -123.65946245 P 25.27761356 24.18220204 22.39362841 181.24248517 -175.50001426 98.59854536 P 24.23573857 25.52724172 22.27538150 -109.33290970 213.10979305 11.97745889 P 20.70296332 20.84887301 24.43088647 -38.65566014 -33.22406716 -1.64981740 P 22.28984966 22.69947162 23.87267840 -45.96768557 -53.36892948 41.30909683 P 22.70293039 21.18107110 25.32825321 -53.92873660 -87.31325468 87.72023088 P 21.13102478 22.75705709 25.76120756 -120.21015032 -45.53898941 56.32906636 P 24.00236605 21.25226748 23.96431997 16.95343729 -116.24587003 -1.83462565 P 25.54396501 22.42923341 24.20379337 111.11417121 39.54047669 -37.76365861 P 25.73854596 20.76922180 25.28229695 34.02604571 -59.94951473 48.47837868 P 23.99695448 22.68745344 25.52015752 36.54013182 -171.23057979 95.38431248 P 20.87970777 24.27711528 23.87871118 -216.12616022 -114.41000530 91.27114097 P 22.25213077 25.23125112 23.71824351 152.50999022 184.43563954 28.55806997 P 22.63616082 23.76429260 25.62968218 -80.47829658 117.54716414 95.83316230 P 21.46103428 25.79977655 25.68543805 -27.19285033 36.22415816 36.50436576 P 23.97662236 24.07327937 24.19989723 23.94546971 30.88540287 -84.36336138 P 25.62961200 25.37425859 23.97354754 67.92949572 65.20893699 38.80961099 P 25.26564846 23.88507600 25.79768454 159.25814709 64.23377900 92.62146208 P 23.90807932 25.36065667 25.67089611 0.21670046 118.94287690 65.17367327