64 Lattice="10.5 0.0 0.0 0.0 10.5 0.0 0.0 0.0 10.5" Properties=species:S:1:pos:R:3:forces:R:3 energy=-87.65713813101378 stress="-542.2008750575703 -80.98793622798044 -50.31219042206396 -80.98793622798044 -527.0166521963622 -53.21975536493143 -50.31219042206396 -53.21975536493143 -535.4066458521385" pbc="F F F" U 0.20933539 -0.08447627 -0.07892407 -1.80237294 -2.35816855 -2.27678748 U 1.38696448 1.39210320 1.29937913 -0.97761285 -5.69800270 2.64507932 U 2.60534843 2.53480486 -0.12469601 3.00035763 2.70313888 -10.23556251 U 3.98939139 3.81975070 1.22525730 -0.69752107 2.44701965 -6.08032697 U 2.80442771 -0.12018195 2.56991918 -2.35587034 -6.82866826 -2.70107266 U 4.00039135 1.37418298 3.76359235 -6.07713501 -9.40387228 7.52789228 U 0.06052890 2.56419913 2.67700969 -8.96193761 -0.09852978 1.88719516 U 1.39438677 4.01215884 3.84903031 -7.37740155 -11.52685797 10.10048363 U 5.31746919 -0.00204485 0.01291389 -3.59199362 -1.96854671 -2.16312238 U 6.64185750 1.29381206 1.40026702 -6.95162003 5.77538579 -7.34855605 U 7.74818640 2.69741516 -0.03995392 -0.43325633 1.82361308 -6.58052988 U 9.16975899 3.88438417 1.37212535 8.01495445 -3.31042627 -2.54264724 U 7.83185229 0.08350277 2.64852837 5.18568742 -14.75310082 6.28152311 U 9.20209220 1.27603477 3.95065351 6.35941112 3.12271764 3.03606533 U 5.25910121 2.68758143 2.68062750 10.16155102 6.05064520 -5.72612982 U 6.62341207 4.03522527 3.95200144 -10.65551279 -5.85900213 2.82608679 U -0.05867613 5.17210629 -0.03543897 -0.42882028 -1.75091207 -0.41730597 U 1.34002976 6.56220121 1.41231989 -2.30571706 -7.44095584 -1.47343373 U 2.51065572 7.83740812 0.06003690 3.36514331 3.03192281 -8.97213033 U 3.80491131 9.27459561 1.33899019 0.05152176 4.65376660 0.76840583 U 2.69277253 5.11299357 2.64188644 8.59727705 6.08296745 -13.71465396 U 3.82673786 6.45471312 4.01320336 2.87736606 4.69845280 3.24178335 U 0.05878935 7.84818025 2.68007681 -11.04209508 -1.06434374 0.06622961 U 1.19725128 9.23729825 3.92408907 2.23504311 9.59525855 1.86328203 U 5.36665440 5.33880233 -0.02447900 -2.61674054 -1.85792006 -6.99972723 U 6.65614616 6.47053333 1.42726725 -2.01896542 7.44735630 -1.88860000 U 7.75394964 8.09527806 0.02170834 -4.40746283 -2.41920439 -6.96107964 U 9.08282561 9.18399970 1.31556991 5.04137048 4.04618508 6.34059180 U 7.87710659 5.13997842 2.69940880 11.01403825 5.47630098 -8.04168772 U 9.22230155 6.49740095 3.84091901 8.44879017 4.02013859 3.03752324 U 5.23001556 7.98379645 2.71763590 -6.85688945 -5.87182315 -6.85037273 U 6.55386253 9.07144628 4.01973540 -3.51957466 18.22485034 -1.91001082 U -0.07446407 -0.02886861 5.24985609 -0.77782984 -0.50364150 -1.75405747 U 1.42841692 1.28714418 6.63592168 -0.09268474 -7.13558378 -8.38323389 U 2.74750614 2.50431258 5.30961859 -0.32230652 2.93895841 -3.26876463 U 3.88620552 3.98633269 6.67783619 8.64020630 -13.41649320 -8.56581393 U 2.60366596 -0.00149803 7.99263179 -2.88119981 -15.36426299 -1.09494192 U 3.87842024 1.30440990 9.09160892 2.46254444 3.86125468 12.80512091 U 0.05515173 2.44300942 7.78086209 -13.02185972 5.65320196 5.56881899 U 1.23238336 3.95329450 9.07664602 0.26416294 1.00288808 4.89631678 U 5.25410779 0.03122165 5.30487102 -0.78521002 -4.48641522 -0.14646849 U 6.65956604 1.35682097 6.68641709 -2.72793691 -7.64046126 -3.51315483 U 7.67462777 2.65721148 5.28407469 7.05203571 -3.70362025 -5.04645379 U 9.10634170 3.84746567 6.49761125 7.24021477 4.07456231 4.31418561 U 7.88083387 0.07179450 7.92774787 3.13210364 -12.60510218 3.15668097 U 9.20546518 1.20687686 9.24296356 4.60288065 4.90490190 4.57748950 U 5.25309973 2.54239604 7.83449602 -4.06760286 4.67136873 2.74109611 U 6.49891147 3.88970522 9.17531989 0.61351289 0.38439480 7.58003083 U 0.06281590 5.15170917 5.23560738 -7.13279462 2.08126008 3.52615958 U 1.21036522 6.70357621 6.64144672 2.61726118 -5.88029553 -4.83445308 U 2.56603146 8.01261964 5.32641661 -8.69761145 -8.15790834 -10.03005452 U 3.89964187 9.13140545 6.44988203 8.53425520 17.27451096 6.05646020 U 2.70169660 5.27545517 7.75013336 -13.05679679 13.41822677 11.49062414 U 4.00786145 6.58254342 9.16813782 -0.62717160 -1.18338715 7.61696166 U -0.06472233 7.86020304 7.92301945 -11.55132433 4.55154961 5.24545980 U 1.25527933 9.09709907 9.28218756 3.90391349 2.40766231 2.67067545 U 5.29503531 5.14265249 5.34769305 -4.50551168 1.13251238 -2.57797079 U 6.46486074 6.52871350 6.59227597 6.39757758 4.80334561 1.34747072 U 7.91606959 7.97474595 5.16899012 9.34286586 -9.38832517 8.75944474 U 9.20485820 9.28234359 6.55436477 2.30694615 2.37956084 3.55504207 U 7.85127013 5.35346708 8.04668658 0.88598380 -1.35150263 -2.63814925 U 9.30199694 6.52245432 9.24676536 4.75935216 4.57583915 3.90860092 U 5.21121811 7.97190604 7.83248648 4.44462683 3.16006998 4.67512991 U 6.65195155 9.28095363 9.26914486 1.77338490 0.55154564 0.62334336