108 Lattice="12.185292625702322 0.0 0.0 0.0 12.185292625702322 0.0 0.0 0.0 12.185292625702322" Properties=species:S:1:pos:R:3:forces:R:3 energy=-510.8680265921221 stress="-0.0008061840963239904 0.0007780219556729412 0.00047828235130735263 0.0007780219556729412 -0.0046740889772690685 0.0013262189127508347 0.00047828235130735263 0.0013262189127508347 -0.002151442617497949" free_energy=-510.8680265921221 pbc="F F F" Ni 0.01512223 0.00365142 0.03306727 0.87450003 0.76894624 0.86442494 Ni 2.01716443 2.01694957 0.02001263 -0.27445424 0.06571004 1.09141436 Zr 2.02119027 0.02364208 2.04708936 0.06682783 0.06415587 -1.11202777 Ni 0.03491867 2.03658037 2.06174607 0.75887463 0.04964431 -0.35255366 Ni 4.09729546 0.03240015 0.02447240 0.09054516 1.13737625 0.99667049 Ni 6.08051870 2.06208818 0.00073892 -0.05786351 -0.47426502 0.77226988 Ni 6.10176081 0.01943552 1.99912847 -0.28519755 0.82369234 -0.05110803 Ni 4.05671265 2.00239644 2.00325985 -0.03594947 -0.35668950 -0.44991773 Zr 8.13902779 0.00547366 0.03328376 -1.84284644 -0.51339412 -0.36823187 Zr 10.12103573 2.01132172 0.02796219 1.48481808 1.03618519 -0.76770929 Zr 10.16960302 0.02466681 2.00262896 0.73326953 -1.37658973 1.12968576 Zr 8.11780565 2.05949470 2.06896004 -0.47504896 -0.23055711 0.41383000 Ni 0.01722168 4.09065199 0.01355267 1.14741599 -0.07034868 1.00851548 Zr 2.06605326 6.06528670 0.00904788 -0.78050630 1.04887891 0.96125035 Ni 1.99311722 4.06371132 2.06173632 -0.19196734 -0.43033156 -0.31602435 Ni 0.00094509 6.09529813 2.01265831 0.64465510 -0.03134020 -0.37354764 Zr 4.08645652 4.04530685 0.00514608 -1.03408842 -1.84166642 0.02019321 Zr 6.05423407 6.12502748 0.01018602 -1.39274294 0.79052188 -1.87317928 Zr 6.07484489 4.09542318 2.05257289 -1.72691840 -1.08471740 0.75254921 Ni 4.06953918 6.08217333 2.02549978 -0.50356524 0.05272014 -0.09819728 Zr 8.10110274 4.08718897 0.00806700 0.87640551 -0.20747728 -1.71015601 Ni 10.15673271 6.13579297 0.01121020 -0.54336507 -0.11623284 0.78154530 Ni 10.17393589 4.05395914 2.05247644 -0.57539320 -0.17664885 -0.06851005 Zr 8.14212983 6.06632175 2.06905138 2.40872864 -0.78974800 -0.24829273 Ni 0.00942214 8.14276307 0.01436569 0.79938088 0.03401228 1.07859621 Zr 1.99045275 10.13825248 0.01067218 0.33963790 -1.10548401 1.09607768 Ni 2.03468766 8.13076141 2.06241325 -0.19980810 0.31623053 -0.86673131 Ni 0.03723704 10.18914945 2.01737703 0.72161574 -0.91396855 -0.10362985 Ni 4.06178088 8.17479232 0.00527424 -0.11541436 0.06103851 0.92139800 Zr 6.08943338 10.18012782 0.01068311 -0.52588305 0.46965609 -0.01732169 Zr 6.11952737 8.12889506 2.01539281 -1.54132358 1.77255432 0.03439090 Ni 4.13573368 10.13165130 2.03215902 -0.31985190 -0.43843832 -0.31884506 Zr 8.10130829 8.08859314 0.02713887 2.60008693 1.08694589 -1.05142026 Ni 10.15946740 10.16263455 0.01952335 -1.18562844 -0.87216293 0.81133323 Ni 10.16351141 8.11483164 2.01878434 -0.64281714 0.63722677 -0.28149275 Ni 8.15637155 10.15279868 1.96968425 0.40882539 -0.75649929 0.03579763 Ni 0.01403883 0.01134834 4.05479231 0.54932595 0.60785448 0.09671181 Zr 2.01216849 2.00677189 4.04930785 0.89059160 0.14216405 -0.74386106 Ni 1.99372319 0.01157488 6.10157064 0.28132904 0.46786915 -0.31693603 Zr 0.03282855 2.01480837 6.10817800 -1.72558651 -0.64899490 -1.54012836 Ni 4.06922384 0.01845787 4.04531385 -0.11834672 0.62951040 0.04153478 Zr 6.13082017 1.96873089 4.04494743 -1.81081647 0.23700003 -0.26654809 Zr 6.10017391 0.02484365 6.05497053 -0.81525210 -1.77649206 -1.29340914 Ni 4.01715621 2.07067864 6.06232381 0.04231342 -0.28115872 -0.35466560 Ni 8.11275320 0.03182934 4.01072998 0.15303993 0.06119544 -0.14562076 Zr 10.16453278 2.00354821 4.08861322 1.05357872 0.83622344 -0.93129726 Zr 10.18247093 0.01565440 6.05505820 0.74116672 -1.47712136 -0.67545454 Zr 8.10942918 2.00325898 6.13142294 -0.40186571 0.91367013 -1.84403170 Ni 0.02981533 4.12670391 4.05606904 0.20878246 0.00932469 -0.24676292 Zr 2.00866428 6.12323830 4.03100086 -0.56017114 -0.82370056 -1.69441136 Zr 1.99615339 4.09074239 6.08793136 0.04300809 -0.07066683 -1.71466374 Ni 0.00903428 6.06719913 6.14430981 0.41360803 0.20967779 -0.27398543 Ni 4.07326898 4.00958954 4.08795498 -0.20006580 -0.23907222 -0.37448144 Zr 6.06929029 6.06934583 4.10143976 0.44977047 -1.26181889 1.44644568 Ni 6.14160247 4.06774086 6.12409797 -0.02310211 -0.29652515 -0.47922624 Zr 4.06941871 6.07256773 6.05532648 0.56880970 1.05384938 0.31737998 Ni 8.13659671 4.03009201 4.04780440 0.35222285 0.35519761 0.33320516 Zr 10.17570194 6.10463990 4.02699614 1.15365489 -0.82550699 -0.70946431 Zr 10.12475760 4.10036895 6.06235162 0.78897121 0.37454456 -0.59715638 Ni 8.18644785 6.08588403 6.09477490 -0.44810178 0.25344716 0.01110672 Zr 0.03981089 8.15107770 4.11691256 -0.97154084 -0.17603944 -0.23116991 Zr 2.06357418 10.13088489 4.04920893 0.01244068 0.99698578 -0.03788483 Ni 2.04886737 8.08962368 6.08088130 -0.06678223 0.55689914 0.45214694 Ni 0.00465124 10.15926864 6.06374187 0.74037563 -0.60441771 0.20587625 Zr 4.11115570 8.16237926 4.01961532 -0.29866291 1.48889075 0.01611135 Ni 6.09734692 10.13297157 4.11055418 -0.06008486 -0.70524183 0.23238198 Ni 6.05576174 8.14168618 6.09970728 0.40241317 0.60969121 0.30511472 Ni 4.08697995 10.13788885 6.10493687 -0.00939519 -0.98978931 0.31740257 Zr 8.14858064 8.10119688 4.05649549 0.03534579 2.72194508 1.00390430 Ni 10.16783058 10.19421263 4.11355368 -0.87437835 -0.99284068 -0.14377929 Zr 10.17257758 8.12105688 6.10856860 -0.00317048 1.56220263 0.82233542 Ni 8.09462248 10.14362247 6.14795034 0.16837612 -0.80029007 0.05644313 Zr 0.01789343 0.02596672 8.09031081 -0.61136297 -0.80595486 0.04505261 Zr 2.03196074 2.02063798 8.10660685 0.76268653 -0.96142419 0.45050491 Zr 2.03106036 0.04514320 10.15839466 0.06270313 0.13173194 1.23975393 Ni 0.00450816 2.01666732 10.15509467 0.51933474 -0.02880273 -0.71132033 Zr 4.08300342 0.00419633 8.12296973 -0.20443072 -0.76343025 -0.15109048 Zr 6.09073352 2.02512505 8.15368359 -0.97656789 -0.47082681 0.99869207 Ni 6.09307057 0.02185328 10.17266454 -0.07327618 0.74885996 -0.60410707 Ni 4.02008997 1.97937889 10.16736347 0.19628669 0.01862084 -0.22271488 Zr 8.17926900 0.00519607 8.10178548 -0.25190019 -1.78403828 2.28605533 Zr 10.11831483 2.04300342 8.15498113 1.92309902 -0.72228930 1.37524860 Ni 10.11992179 0.03522706 10.11677663 -0.48849999 0.68307133 -0.55515107 Ni 8.09951660 2.00117374 10.15160226 0.32701418 -0.29932336 -0.44068713 Zr 0.00104615 4.07889907 8.11263931 -2.51751979 0.38432702 1.04166774 Zr 2.00733110 6.10956987 8.15398583 -0.55497435 2.63306161 0.09052041 Zr 2.05099420 4.10198625 10.14243085 -0.86512286 -1.15516533 2.50946023 Ni 0.00746362 6.09580365 10.14738789 0.51271128 0.23443568 -0.30621104 Zr 4.05774416 4.05653718 8.11487296 0.97498480 -1.78538366 -0.63380797 Zr 6.08758282 6.11601183 8.13402286 1.70675252 2.74158249 -0.84431059 Zr 6.12476678 4.09412444 10.13929466 0.55870282 -1.00104363 2.61321057 Zr 4.07578598 6.09473345 10.18763032 0.14442849 2.58653444 1.50757340 Zr 8.09381603 4.05152232 8.13612003 -0.43803006 0.85678196 -0.02300711 Zr 10.08710160 6.12256105 8.11420816 0.08648404 0.79001920 0.18376557 Zr 10.15706967 4.09422447 10.13076067 -0.16736901 0.00950376 1.38564157 Ni 8.06011837 6.10406245 10.14088441 0.22379207 0.50736341 -0.28005165 Zr 0.05546504 8.14424249 8.10432474 0.08465375 0.91138309 0.12555449 Ni 2.03237725 10.13991544 8.13426662 0.17373531 -0.92122614 -0.12012953 Ni 2.06679677 8.12917257 10.13477253 -0.19327141 0.32190211 -0.55338391 Ni 0.02255274 10.18960731 10.13945895 1.04751031 -0.81914165 -0.81621447 Ni 4.07414435 8.15642921 8.17440197 -0.48366657 0.43712601 -0.10080059 Zr 6.06565373 10.15278123 8.09762861 0.92855886 -0.95099634 -0.69103325 Ni 6.11508900 8.18042280 10.18979560 0.34386442 -0.05077745 -0.81030704 Zr 4.05508286 10.17195616 10.09648049 -0.95436262 -1.18575299 -0.21439865 Ni 8.06341794 8.12072018 8.10140222 0.34756486 0.46045301 0.26536383 Ni 10.15504107 10.15972024 8.10233813 -1.09392939 -1.01631282 0.09544284 Zr 10.16763247 8.08669729 10.17860092 -1.27436908 0.59390965 -0.55147292 Ni 8.11441624 10.11489526 10.16234180 -0.14296968 -0.87617963 -0.96751685