108 Lattice="11.282651322748922 0.0 0.0 0.0 11.282651322748922 0.0 0.0 0.0 11.282651322748922" Properties=species:S:1:pos:R:3:forces:R:3 energy=-552.5497177018185 stress="0.5892095048379868 -5.051715638132129 2.390097112279225 -5.051715638132129 0.3782664343386095 -0.5115643503763412 2.390097112279225 -0.5115643503763412 1.7885459196908062" pbc="F F F" Nb -0.00579020 -0.01483522 0.00081203 -0.35925895 0.40498559 0.27858072 Nb 1.86874753 1.88335386 0.00089719 1.62613580 -0.13703626 -0.99634593 Nb 1.92683181 -0.00380828 1.88886417 -0.40193289 0.00141750 0.60177473 Ni 0.00352580 1.92325730 1.89823247 0.15819059 -0.48515582 0.33538617 Ni 3.72041762 -0.02302113 0.00449062 0.30321450 0.43976007 0.60236627 Nb 5.66182868 1.86712657 -0.00475707 -1.74974762 -0.79111556 -0.25443427 Ni 5.65601447 -0.03745381 1.86264065 -0.39402611 0.83625904 0.06285942 Ni 3.80452338 1.90369699 1.86731323 0.09459338 -0.29735012 0.21094651 Nb 7.53422054 0.02179696 -0.00171690 0.01201863 -0.43401027 0.84240594 Nb 9.38911286 1.92598841 -0.01826964 0.59574776 0.06898352 0.82376649 Ni 9.43832642 0.00845983 1.88608596 -0.60032148 0.46340453 -0.15237696 Ni 7.49302715 1.89875797 1.87856476 0.32091231 -0.20114888 0.69777561 Nb 0.03267643 3.77663125 -0.00770936 -0.94668676 0.68228339 -0.20218682 Ni 1.87121998 5.64116122 -0.01364357 0.48167418 -0.02726543 0.42915420 Nb 1.87695297 3.74878186 1.87187383 1.00171881 0.93998699 1.49687597 Ni -0.00847472 5.63434104 1.90898824 0.31903110 -0.13787150 0.09914727 Ni 3.78024945 3.74125991 -0.00374318 -0.14088546 0.48658848 0.30430918 Ni 5.63641191 5.61819423 -0.02099625 -0.21018508 0.28829907 0.09807438 Nb 5.65487318 3.79910618 1.86951650 -1.35142987 -0.22268954 1.91839110 Ni 3.78652343 5.61719026 1.89461135 -0.35085628 -0.21727560 -0.59509083 Nb 7.49729483 3.70895539 0.00387749 0.21028781 0.40085323 -1.24907815 Nb 9.40793098 5.66486443 0.02670967 0.67312461 0.40864552 -0.29452971 Ni 9.41376239 3.75554095 1.84290147 -0.51043409 -0.07709330 0.59614417 Nb 7.55882288 5.66436492 1.87999630 0.33813793 0.45085114 1.72366173 Nb -0.02069112 7.48464136 0.00156251 -0.72368938 -1.49375218 -0.52137137 Nb 1.87219173 9.42981376 0.03331278 1.50118217 0.73723397 -0.80130633 Nb 1.88626529 7.55159574 1.82166239 1.54065684 -2.09197877 0.54251109 Nb 0.00160787 9.41560857 1.87803569 -1.01443718 1.38846408 0.93191883 Ni 3.74654064 7.51235874 -0.02532316 0.16886865 -0.10316976 0.46549178 Ni 5.63079462 9.39589170 -0.00144617 -0.11265131 -0.82180043 1.04187360 Nb 5.61629520 7.48601698 1.88317201 0.45505822 -0.18820783 -1.68230007 Ni 3.79481652 9.37666022 1.91102770 -0.32229079 0.17848616 -0.66233314 Ni 7.55707435 7.55463691 0.01003331 -0.12195126 0.42165187 0.41370436 Ni 9.40292003 9.40169891 -0.00509197 -0.91023951 -1.17733727 1.23044272 Ni 9.36633184 7.52496031 1.89256805 -0.40613553 0.47136005 0.02043300 Ni 7.51870091 9.39990311 1.91084352 0.43629715 -0.70179462 -0.79793804 Ni -0.00004156 0.03668664 3.75872638 1.02817435 0.97225034 -0.17330856 Ni 1.88496311 1.91805554 3.73210315 -0.34608519 -0.14223107 0.49006093 Ni 1.88968516 -0.00451948 5.60728410 -0.64949625 1.02819374 0.22894192 Ni 0.02114335 1.89988653 5.65456380 1.05956444 -0.30288138 -0.01164029 Nb 3.74183915 0.00988444 3.77934478 1.14531218 0.52706407 0.59769063 Ni 5.65437335 1.90652817 3.77693111 -0.26243565 -0.05293696 -0.46822414 Ni 5.67613927 -0.01855952 5.60687003 -0.40834421 0.15571250 0.06947676 Ni 3.79299895 1.87257775 5.59200467 -0.46756198 0.48895226 -0.01367899 Nb 7.50079572 -0.01467614 3.79639343 -0.79709718 -0.93561207 -1.30149436 Nb 9.41313876 1.85405930 3.73926066 0.62055554 1.12595352 -0.83378830 Ni 9.38784759 -0.01486461 5.65051861 -0.01824014 0.31996758 0.44911147 Nb 7.48511260 1.87380480 5.62691358 0.29036234 1.02294391 -0.53386006 Ni -0.02741620 3.70196981 3.75114656 0.62309570 0.10402627 0.11892823 Ni 1.83883322 5.62738817 3.76976321 -0.01165686 -0.86243511 -0.63527843 Ni 1.88935568 3.76786466 5.65752355 0.04020710 -1.07993147 -0.76880833 Nb 0.02879702 5.64072184 5.64955616 -1.81207194 -1.79084910 -1.68947465 Ni 3.71296557 3.76569219 3.73703523 0.25674092 -0.42167359 0.20680626 Ni 5.60636813 5.62900171 3.79381901 0.62600491 -0.79684080 -0.49519668 Ni 5.60314224 3.71152044 5.60080639 -0.22707906 0.29284972 -0.14850783 Nb 3.76267897 5.61975072 5.65781926 0.41571634 -3.54265038 -0.92430595 Ni 7.52445073 3.78482043 3.82554241 0.08299326 -0.22682609 -0.55696802 Ni 9.41407822 5.58860026 3.76190465 -0.31343932 0.00482300 -0.49776125 Ni 9.40400060 3.79603312 5.60202412 -0.10463248 -0.02376325 0.24319135 Nb 7.52822130 5.65296378 5.67097201 -0.26487352 -1.08131767 -0.94782944 Nb 0.02626856 7.53207406 3.75763996 -1.40709596 -0.74254780 -1.10615185 Ni 1.85857369 9.37375468 3.70610049 0.36246252 0.50385414 -0.21735441 Nb 1.81734025 7.52063497 5.67607013 0.25688333 1.47981820 -1.14576356 Nb -0.03076387 9.42755194 5.62930457 -0.10525132 1.46603537 0.00444711 Nb 3.78204285 7.49424426 3.75829168 -1.72030693 -0.52503731 -1.86662548 Nb 5.65169481 9.39874611 3.70674977 1.69121746 1.93453956 -0.05875185 Nb 5.61948100 7.46477521 5.60330124 3.31857707 0.35325418 0.36957440 Nb 3.75064017 9.38772859 5.67505981 -1.67913882 3.08348666 -0.52957354 Ni 7.58683871 7.53952808 3.73358980 -0.02333261 -0.06116681 -0.12643824 Nb 9.42149690 9.41716970 3.76976142 -0.79836667 -0.00398804 -0.59418788 Nb 9.40371935 7.49048441 5.61195258 0.33918470 -0.51627707 0.24423352 Ni 7.59298528 9.40324933 5.64513072 -0.37393158 -0.35683553 0.04250194 Ni 0.00281275 0.02100442 7.55844191 0.93199662 0.85008080 -0.50581759 Ni 1.91302107 1.90349037 7.54521549 0.05570132 -0.06383888 -0.51895210 Nb 1.86834971 0.01298221 9.42089229 0.60454228 -0.05838030 -0.16224039 Nb 0.00519712 1.84378183 9.40215578 0.01629964 0.67127469 -0.03380753 Nb 3.79230367 0.02231116 7.48979674 -0.99951080 -0.59223941 -1.28068923 Nb 5.61688223 1.85956906 7.51304359 -1.33259310 1.07926612 -0.69298829 Nb 5.66688771 0.01444934 9.42928855 0.01125308 -0.00013923 1.47524868 Ni 3.73795341 1.87796643 9.41581009 -0.49462744 0.39015200 -0.22412581 Nb 7.54766739 0.03665802 7.55649934 0.47201695 -1.10619908 -0.94273947 Ni 9.39256524 1.91145435 7.54879696 -0.09753217 0.01500262 -0.13073002 Nb 9.41039059 -0.03492641 9.41440463 -0.45323973 0.84796209 -0.24118125 Ni 7.55145472 1.88870415 9.37194766 0.54953040 0.11434324 0.19135587 Nb 0.03333728 3.76483759 7.52039096 -0.66041916 -1.94651650 -0.78186986 Nb 1.88954899 5.61907399 7.55896480 0.70224945 -1.53146982 1.20107538 Ni 1.89632068 3.77101536 9.42699953 0.44049561 -0.82707929 -0.10681344 Nb -0.01682677 5.57586736 9.36483015 -0.39210080 0.45443555 1.87034878 Ni 3.72958198 3.74099467 7.53898590 0.02877597 -0.68557858 -0.06323832 Ni 5.60875542 5.66721321 7.50398401 0.47079030 -0.59796564 0.44722007 Nb 5.65544619 3.74495860 9.40000834 -0.77680474 -0.78942878 1.12504773 Nb 3.82719921 5.66946965 9.43414508 -0.24705871 -0.27565049 1.21250130 Nb 7.53634633 3.73710483 7.55832056 1.23900108 0.17652703 -0.54220869 Ni 9.38365619 5.64826442 7.46859806 0.08483489 -0.02073243 0.43677949 Ni 9.38007544 3.82703713 9.40143984 -0.40659386 -0.28124634 -0.52427176 Nb 7.54914573 5.67304255 9.41895132 -0.58893212 0.61578324 0.09642091 Nb -0.03061133 7.49651167 7.51240610 -1.52620562 0.87135959 1.09231560 Ni 1.83337168 9.39666625 7.55212792 0.15444670 0.16431951 0.62290454 Ni 1.87294169 7.55243302 9.43696650 -0.01994180 0.28516830 -0.01755056 Nb 0.01128213 9.35566480 9.43643397 0.59249338 -0.30114647 -0.35544017 Nb 3.72538477 7.51960475 7.53051220 0.22237523 1.22845215 2.75209782 Nb 5.60613482 9.42629280 7.52388583 1.31966958 0.90599961 0.53656476 Ni 5.67493777 7.46805035 9.35855098 0.20830670 0.48267655 -0.07756284 Ni 3.73514604 9.39736442 9.40110866 -0.17630386 -0.65539705 -0.42294972 Ni 7.51387956 7.53250224 7.52684534 0.02935110 -0.03845118 0.12288946 Nb 9.39367119 9.39829472 7.51323956 -0.05375429 0.47308529 -0.81382335 Nb 9.37342090 7.50706021 9.43542158 0.80523418 -0.51224410 -0.27306044 Nb 7.49929565 9.42010542 9.40224344 -0.69005163 -0.20356937 0.55059440