32 Lattice="8.119653903659671 0.0 0.0 0.0 8.119653903659671 0.0 0.0 0.0 8.119653903659671" Properties=species:S:1:pos:R:3:forces:R:3 energy=-104.57282854268807 stress="-5.041402888744435 -1.4162850180649231 -0.9454740002547624 -1.4162850180649231 -4.654504000717338 1.007419301120013 -0.9454740002547624 1.007419301120013 -3.6512726804260502" pbc="F F F" Mo 0.05591866 0.03704602 -0.01917573 -0.15034260 -0.44083035 -0.23250535 Mo 2.02650300 2.05645922 0.03525444 1.28985927 0.44291830 -0.53709502 Mo 2.06918946 -0.01354055 2.04605793 0.32601577 -0.41495341 0.19418847 Mo 0.00357874 2.00806721 1.99992157 -0.46509561 1.01581651 1.05593393 Mo 4.06952317 0.01229788 -0.02684643 -0.88017141 -0.10832549 -0.16323522 Mo 6.07626320 2.02503315 0.01774458 0.56715537 0.66088837 -0.23271999 Mo 6.06118053 -0.00291781 2.00958489 0.66802772 -0.47224945 0.39634270 Mo 4.07443149 2.03304434 2.06697754 -0.90517054 0.64669890 0.04335247 Mo 0.00084425 4.05382655 -0.03856118 -0.22923324 -0.26881356 0.18074459 Mo 2.05180117 6.05589674 -0.00044841 0.49289067 0.26146555 -0.30712205 Mo 2.04962471 4.05604592 2.03394764 -0.04214306 -0.79171303 0.82353432 Mo 0.02699170 6.12239285 2.05319646 -0.08481637 -0.28355959 0.47871223 Mo 4.09707127 4.03622130 0.03477853 -1.08521891 -0.69341405 -0.73904360 Mo 6.05477063 6.08029418 0.02192982 0.36387879 0.31692751 -0.32453341 Mo 6.08000081 4.08772784 2.05407014 0.98902493 -1.46316865 0.41347401 Mo 4.06604889 6.04935742 2.02863380 -1.05083426 1.05209324 0.75839026 Mo 0.03039097 0.03644344 4.08661120 -0.74817719 -0.55285315 -0.82270360 Mo 2.01668399 2.00344556 4.03432140 1.30413120 1.22690701 -0.35553329 Mo 2.01835993 -0.00184508 6.08509600 1.15386792 -0.10469930 0.24387364 Mo 0.01879163 2.05227502 6.11525795 -0.31277189 0.24590316 0.51014389 Mo 4.09981045 -0.00118208 4.01716996 -1.05797689 -0.41160749 0.59630522 Mo 6.10885719 1.99887575 4.06488490 0.48949396 1.07253290 -0.63870930 Mo 6.09267415 0.02132146 6.11790707 -0.18669858 0.01551451 0.05759438 Mo 4.05176764 2.08340717 6.07978531 -0.61773307 -0.44968066 0.10368475 Mo 0.01717787 4.02087300 4.10008009 -0.37892656 -0.21778126 -1.39459376 Mo 2.05544553 6.05833282 4.08647286 0.43912328 0.47233895 -0.78715542 Mo 2.04783870 4.04210740 6.09586756 0.26582149 -0.23355984 0.35667126 Mo -0.03978383 6.11919766 6.05080456 0.19514041 -0.16848855 0.02179691 Mo 4.05845353 4.03805988 4.02163691 -0.66959461 -0.64343795 0.19390274 Mo 6.08042734 6.07189266 4.03749509 0.20251566 0.45728457 0.06093288 Mo 6.08099913 4.04463866 6.09873917 0.37029538 -0.33824429 -0.01858241 Mo 4.05508233 6.06541987 6.11530607 -0.25233704 0.17009060 0.06395375