32 Lattice="92.15262985229492 0.0 0.0 0.0 92.15262985229492 0.0 0.0 0.0 92.15262985229492" Properties=species:S:1:pos:R:3:forces:R:3 energy=-3.623882677405877 stress="-2.6889436463982208e-05 1.176467815465616e-07 -3.640418295286029e-07 1.176467815465616e-07 -2.6260272561992964e-05 -4.426605182385063e-07 -3.640418295286029e-07 -4.426605182385063e-07 -2.721911581020878e-05" free_energy=-3.623882677405877 pbc="F F F" K 45.95581917 46.16894392 46.16835589 -0.16816452 -0.18519104 -0.20369870 K 49.57022485 49.21034236 45.94159423 -0.03125770 0.16437363 -0.29270321 K 49.19106024 45.93889639 49.50614988 0.11709503 -0.30113938 0.06791037 K 45.89142144 49.38313765 49.22443404 -0.31338308 0.06518653 0.07607240 K 52.32538775 46.04210509 46.24514318 0.08557817 -0.33007839 -0.22176290 K 56.00401206 49.12469647 45.96423335 0.21954798 0.06031938 -0.26651428 K 55.77316614 46.26195729 49.52235008 0.25736909 -0.41516851 -0.10342496 K 52.81166905 49.53066295 49.45965066 -0.24758281 -0.05535544 0.05599425 K 46.30097663 52.80553091 45.95466891 -0.28139073 -0.13572503 -0.36455026 K 49.46397931 55.94320373 46.20381685 0.02115630 0.34654988 -0.39329511 K 49.19588054 52.62343445 49.29958159 0.14110501 -0.24033298 0.07344392 K 46.04122606 55.85669166 49.17616030 -0.31810309 0.36525171 0.08349965 K 52.81846745 52.80777495 46.31915552 -0.10183022 -0.15984895 -0.50577256 K 56.04527231 55.97692416 46.20052067 0.17307983 0.22043631 -0.15642128 K 55.76723786 52.74705641 49.33918026 0.49549749 -0.07514955 0.07226052 K 52.24844977 55.80112430 49.37882693 0.13027366 0.48295931 0.13425650 K 45.95297080 46.05604444 52.71139502 -0.33271167 -0.25554931 -0.08471296 K 49.31535896 49.18287076 52.65407420 0.09308345 0.18199396 -0.10513191 K 49.23520377 45.94415409 55.79704546 0.05111064 -0.33779614 0.29376886 K 46.00953488 49.15411817 56.02542687 -0.24548666 0.15960021 0.23558481 K 52.88547865 46.02115931 53.01704351 -0.14485215 -0.34002351 -0.13061880 K 56.16629989 49.13908455 52.47951841 0.34624360 0.23916145 0.12362489 K 56.10285862 46.24538762 56.01933874 0.19123778 -0.11944575 0.23891316 K 52.29928209 49.32422573 56.13393174 0.05525119 0.12345953 0.30907084 K 46.26941114 52.81023169 52.41092633 -0.41902317 -0.17076779 0.08880689 K 49.42877955 55.88718910 52.76690118 0.00800938 0.45250014 -0.10752125 K 49.18598403 52.89429727 56.00156098 0.07351688 -0.29921159 0.34017306 K 46.18767208 55.80566883 56.00843123 -0.29791724 0.25045614 0.18309090 K 52.69908291 52.70425812 52.58832120 -0.13492967 -0.19634291 0.02361880 K 56.06365777 55.87047793 52.60493762 0.23112498 0.33548905 -0.05764534 K 55.78205270 52.75066127 55.75594107 0.30201983 -0.17322329 0.29767222 K 52.52142434 55.73438294 56.02157438 0.04433243 0.34261231 0.29601145