64 Lattice="70.0 0.0 0.0 0.0 70.0 0.0 0.0 0.0 70.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=-87.6571381310138 stress="-0.0015807605686809585 -0.00023611643215154358 -0.00014668277090981082 -0.00023611643215154358 -0.0015364916973654816 -0.00015515963663245412 -0.00014668277090981082 -0.00015515963663245412 -0.0015609523202686185" pbc="F F F" U 35.20933539 34.91552373 34.92107593 -1.80237294 -2.35816855 -2.27678748 U 36.38696448 36.39210320 36.29937913 -0.97761285 -5.69800270 2.64507932 U 37.60534843 37.53480486 34.87530399 3.00035763 2.70313888 -10.23556251 U 38.98939139 38.81975070 36.22525730 -0.69752107 2.44701965 -6.08032697 U 37.80442771 34.87981805 37.56991918 -2.35587034 -6.82866826 -2.70107266 U 39.00039135 36.37418298 38.76359235 -6.07713501 -9.40387228 7.52789228 U 35.06052890 37.56419913 37.67700969 -8.96193761 -0.09852978 1.88719516 U 36.39438677 39.01215884 38.84903031 -7.37740155 -11.52685797 10.10048363 U 40.31746919 34.99795515 35.01291389 -3.59199362 -1.96854671 -2.16312238 U 41.64185750 36.29381206 36.40026702 -6.95162003 5.77538579 -7.34855605 U 42.74818640 37.69741516 34.96004608 -0.43325633 1.82361308 -6.58052988 U 44.16975899 38.88438417 36.37212535 8.01495445 -3.31042627 -2.54264724 U 42.83185229 35.08350277 37.64852837 5.18568742 -14.75310082 6.28152311 U 44.20209220 36.27603477 38.95065351 6.35941112 3.12271764 3.03606533 U 40.25910121 37.68758143 37.68062750 10.16155102 6.05064520 -5.72612982 U 41.62341207 39.03522527 38.95200144 -10.65551279 -5.85900213 2.82608679 U 34.94132387 40.17210629 34.96456103 -0.42882028 -1.75091207 -0.41730597 U 36.34002976 41.56220121 36.41231989 -2.30571706 -7.44095584 -1.47343373 U 37.51065572 42.83740812 35.06003690 3.36514331 3.03192281 -8.97213033 U 38.80491131 44.27459561 36.33899019 0.05152176 4.65376660 0.76840583 U 37.69277253 40.11299357 37.64188644 8.59727705 6.08296745 -13.71465396 U 38.82673786 41.45471312 39.01320336 2.87736606 4.69845280 3.24178335 U 35.05878935 42.84818025 37.68007681 -11.04209508 -1.06434374 0.06622961 U 36.19725128 44.23729825 38.92408907 2.23504311 9.59525855 1.86328203 U 40.36665440 40.33880233 34.97552100 -2.61674054 -1.85792006 -6.99972723 U 41.65614616 41.47053333 36.42726725 -2.01896542 7.44735630 -1.88860000 U 42.75394964 43.09527806 35.02170834 -4.40746283 -2.41920439 -6.96107964 U 44.08282561 44.18399970 36.31556991 5.04137048 4.04618508 6.34059180 U 42.87710659 40.13997842 37.69940880 11.01403825 5.47630098 -8.04168772 U 44.22230155 41.49740095 38.84091901 8.44879017 4.02013859 3.03752324 U 40.23001556 42.98379645 37.71763590 -6.85688945 -5.87182315 -6.85037273 U 41.55386253 44.07144628 39.01973540 -3.51957466 18.22485034 -1.91001082 U 34.92553593 34.97113139 40.24985609 -0.77782984 -0.50364150 -1.75405747 U 36.42841692 36.28714418 41.63592168 -0.09268474 -7.13558378 -8.38323389 U 37.74750614 37.50431258 40.30961859 -0.32230652 2.93895841 -3.26876463 U 38.88620552 38.98633269 41.67783619 8.64020630 -13.41649320 -8.56581393 U 37.60366596 34.99850197 42.99263179 -2.88119981 -15.36426299 -1.09494192 U 38.87842024 36.30440990 44.09160892 2.46254444 3.86125468 12.80512091 U 35.05515173 37.44300942 42.78086209 -13.02185972 5.65320196 5.56881899 U 36.23238336 38.95329450 44.07664602 0.26416294 1.00288808 4.89631678 U 40.25410779 35.03122165 40.30487102 -0.78521002 -4.48641522 -0.14646849 U 41.65956604 36.35682097 41.68641709 -2.72793691 -7.64046126 -3.51315483 U 42.67462777 37.65721148 40.28407469 7.05203571 -3.70362025 -5.04645379 U 44.10634170 38.84746567 41.49761125 7.24021477 4.07456231 4.31418561 U 42.88083387 35.07179450 42.92774787 3.13210364 -12.60510218 3.15668097 U 44.20546518 36.20687686 44.24296356 4.60288065 4.90490190 4.57748950 U 40.25309973 37.54239604 42.83449602 -4.06760286 4.67136873 2.74109611 U 41.49891147 38.88970522 44.17531989 0.61351289 0.38439480 7.58003083 U 35.06281590 40.15170917 40.23560738 -7.13279462 2.08126008 3.52615958 U 36.21036522 41.70357621 41.64144672 2.61726118 -5.88029553 -4.83445308 U 37.56603146 43.01261964 40.32641661 -8.69761145 -8.15790834 -10.03005452 U 38.89964187 44.13140545 41.44988203 8.53425520 17.27451096 6.05646020 U 37.70169660 40.27545517 42.75013336 -13.05679679 13.41822677 11.49062414 U 39.00786145 41.58254342 44.16813782 -0.62717160 -1.18338715 7.61696166 U 34.93527767 42.86020304 42.92301945 -11.55132433 4.55154961 5.24545980 U 36.25527933 44.09709907 44.28218756 3.90391349 2.40766231 2.67067545 U 40.29503531 40.14265249 40.34769305 -4.50551168 1.13251238 -2.57797079 U 41.46486074 41.52871350 41.59227597 6.39757758 4.80334561 1.34747072 U 42.91606959 42.97474595 40.16899012 9.34286586 -9.38832517 8.75944474 U 44.20485820 44.28234359 41.55436477 2.30694615 2.37956084 3.55504207 U 42.85127013 40.35346708 43.04668658 0.88598380 -1.35150263 -2.63814925 U 44.30199694 41.52245432 44.24676536 4.75935216 4.57583915 3.90860092 U 40.21121811 42.97190604 42.83248648 4.44462683 3.16006998 4.67512991 U 41.65195155 44.28095363 44.26914486 1.77338490 0.55154564 0.62334336