32 Lattice="6.0 0.0 0.0 0.0 6.0 0.0 0.0 0.0 6.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=149.4671578467911 stress="-959.253564009369 -10.428057176918344 94.03915508333114 -10.428057176918344 -773.259875968533 -21.497993308181663 94.03915508333114 -21.497993308181663 -847.2842737433159" pbc="F F F" Nb -0.13863341 0.35813189 -0.25354363 -15.84300968 -16.98526609 -17.61266697 Nb 1.48193431 1.60545670 0.20070203 41.16280614 -8.68911383 -53.72065494 Nb 1.20342959 -0.09914834 1.45254490 21.91824871 -41.25995242 -12.42053812 Nb 0.28187239 1.58329129 1.48453339 -56.30686692 2.71097098 39.29843891 Nb 3.30159844 -0.12206635 -0.28095614 -2.60091475 -8.52133669 -10.55208985 Nb 4.50082602 1.74624097 0.14302402 17.67808051 -12.87059326 -36.64427172 Nb 4.35498893 0.11042859 1.70947124 74.27838232 3.30817695 -14.19396031 Nb 2.98474050 1.42706573 1.57054290 6.47762129 19.98859842 16.49420014 Nb -0.15344509 2.63806081 -0.17769156 -32.42354792 15.54214179 -27.07593523 Nb 1.41049160 4.22286420 -0.06141927 -32.32833738 51.85787298 -53.55288486 Nb 1.13713021 3.45257237 1.55988540 25.71865638 -19.27504199 -8.90480831 Nb -0.29754255 4.66431082 1.29699420 -30.60054922 28.65267770 -5.86792017 Nb 2.84909732 3.20367324 -0.10028026 31.15794260 -35.02519837 -33.03657860 Nb 4.37366136 4.46097674 -0.24769569 17.39182876 13.45739773 -7.40468436 Nb 4.71813893 2.76716069 1.69410236 12.53322729 -77.45373214 79.99781520 Nb 2.83096497 4.38201197 1.43300593 26.78561908 47.10375778 7.21049730 Nb -0.27997518 -0.22303573 2.61881876 -30.08575565 -13.04235628 13.29905755 Nb 1.46512192 1.44342447 3.29391194 17.35885688 33.85481590 -33.43336673 Nb 1.22614529 0.02103145 4.27761356 13.92994912 -75.50561543 28.07892404 Nb 0.18220204 1.39362841 4.73573857 -46.73709683 21.03974186 33.01859469 Nb 3.02724172 -0.22461850 2.70296332 -37.34246584 -34.09248353 40.05014227 Nb 4.34887301 1.72083292 2.78984966 -43.01485789 85.79162452 -90.01419548 Nb 4.48735431 -0.07700850 4.26239797 20.58767959 -8.52980305 1.16862889 Nb 3.18107110 1.32825321 4.63102478 -21.05465699 -23.32340723 11.06687952 Nb 0.09995250 3.26120756 2.91110900 -56.57859406 -19.42453592 32.27146051 Nb 1.75226748 4.46431997 3.30631839 -18.21125900 41.62527655 -31.09596760 Nb 1.42074239 3.20379337 4.73854596 1.32809174 -25.90470172 36.11472580 Nb -0.23077820 4.28229695 4.52031036 -24.98260824 22.29366877 20.02849014 Nb 3.18745344 3.02015752 2.87970777 20.69982309 -46.77595483 16.65608178 Nb 4.77711528 4.37871118 2.75213077 17.04770455 27.69141526 12.91199188 Nb 4.23125112 2.71824351 4.63616082 42.38695800 25.42092107 4.97152766 Nb 2.76429260 4.62968218 4.71980528 39.66904433 26.34003453 42.89306697