108 Lattice="11.983105105713886 0.0 0.0 0.0 11.983105105713886 0.0 0.0 0.0 11.983105105713886" Properties=species:S:1:pos:R:3:forces:R:3 energy=-512.2953488278406 stress="-0.006661533830355768 -0.0002491574962695071 0.004434951667415733 -0.0002491574962695071 0.0022292165677474194 0.001003336371558587 0.004434951667415733 0.001003336371558587 -0.00042129689935878106" free_energy=-512.2953488278406 pbc="F F F" Zr 0.01818185 0.05333618 0.02267685 0.18382927 0.18279941 0.94954343 Zr 1.98212685 2.03551501 0.00054554 -0.81527340 -0.36570662 -0.53007815 Ni 2.01013897 0.02587301 1.96601351 -0.31804957 0.67275380 -0.10259530 Ni 0.00092643 1.99623936 2.00603548 0.33854234 -0.42019027 0.00195007 Zr 3.98259846 0.03785973 0.02070321 -0.02547724 0.04430398 0.00001694 Ni 6.01781022 1.97514068 0.01864791 -0.08009131 0.37734802 0.77999189 Zr 6.00736141 0.07358453 2.00745720 0.82254061 -0.13104516 -0.06546348 Ni 3.94121836 2.05384011 2.01511316 0.46811865 -0.13008120 -0.48331094 Zr 8.01323666 0.02105987 0.03121676 -0.09544462 0.78127541 -0.55206788 Ni 10.02170041 1.96628199 0.00482876 -0.54423737 0.28542821 0.84320861 Zr 10.01419967 0.03227879 2.03148030 -0.19556067 -0.02096025 0.03374860 Ni 7.99641385 2.00552860 1.97433499 0.37537159 0.12477316 0.03748404 Ni 0.00856804 4.00896923 0.01327912 0.39284297 -0.40095433 0.74789462 Zr 2.03487004 5.99837963 0.02900673 -2.86598173 0.29217648 -2.29355791 Zr 1.97124290 4.00360051 1.95935215 -0.93948711 -0.38381480 0.99684867 Ni 0.02092425 5.95870948 2.05208494 0.37025434 0.55221035 -0.24310601 Zr 3.95463415 4.02642288 0.02776605 1.90701069 -1.93777515 -1.36643418 Zr 5.95328352 5.98237237 0.01257240 2.12107860 0.88660767 -0.43637897 Ni 6.02595240 3.95507616 1.97529009 0.11601838 -0.79323305 -0.05388951 Zr 4.01387863 6.00947746 2.01341494 0.88362674 -0.37394280 2.62040450 Zr 8.02625437 4.01896047 0.03767744 -0.27453443 -1.63468411 0.86337515 Zr 9.97437422 5.98008420 0.01884744 0.08914214 0.37608961 -0.16568483 Ni 9.99803837 4.03436064 2.00333800 -0.77256958 -0.26466661 0.06383393 Ni 7.99158792 6.00881135 2.01588892 0.13767775 -0.05025062 -0.48464346 Ni 0.01246066 8.00723599 0.02875586 0.44693438 0.00200468 0.43554605 Zr 2.02131282 9.99862312 0.00162754 -0.60789415 0.97600072 -1.81946260 Zr 1.99102489 8.00091137 1.98889430 -1.68840616 -0.69687440 2.85942184 Zr 0.02909567 9.97989699 1.99390996 -0.93128124 0.08632175 0.90200807 Zr 4.01141592 7.95656604 0.03611280 0.95682454 0.44704190 -2.28461748 Zr 5.97970301 9.99790978 0.02381739 0.84256665 0.00674273 -0.96998214 Ni 5.95190990 8.01287639 2.04293907 0.52951948 0.39016376 -0.03557872 Zr 4.02435325 9.97741290 2.02061919 0.69511687 1.06658071 2.55292882 Ni 7.97127842 7.95942376 0.01230987 0.11681542 -0.08282372 0.74383795 Zr 10.01837227 10.02148107 0.01724524 -0.32555995 -0.25706453 -0.47264822 Zr 10.02352206 7.98208421 2.02332331 0.85715254 0.21295030 -0.44464645 Zr 7.96384137 10.01466802 2.00044531 -0.60029574 0.80026061 0.50279981 Ni 0.00478046 0.02973042 3.98677988 0.75042102 0.77267187 -0.47646948 Zr 2.02149335 1.95974738 4.02647983 0.64894913 -0.64867840 -0.29651270 Ni 2.00542985 0.00514266 5.99282121 -0.14225803 0.27479787 0.29085826 Zr 0.00186561 2.01467800 5.96470982 -1.09420669 -0.83657423 1.07482268 Zr 3.95764517 0.01954672 3.98551172 -1.54139892 -1.16306074 0.06063965 Zr 5.99075268 1.97903162 3.99549213 0.21435738 2.79477216 -0.98675844 Zr 5.95761634 0.03705825 6.00493232 0.96110091 -2.09098466 -0.01895897 Ni 3.98919504 2.02739866 6.01543800 -0.39712747 0.60603549 0.07787128 Ni 8.04810362 0.01550391 4.03082120 -0.06060113 0.19409911 -0.62535287 Zr 9.99706512 1.99922239 3.97933261 0.30926220 1.71470856 -1.05110783 Zr 9.96112989 0.01884715 6.02743885 0.19927093 -0.99798878 0.82657720 Zr 8.00940273 1.99389184 5.97895787 0.87888372 1.89453480 0.98882853 Zr 0.02557462 3.99188601 3.98168779 -1.01030354 1.75405296 -0.00368536 Ni 2.00631107 5.96544652 3.95519435 -0.35055367 0.19893242 0.33000443 Ni 2.01976767 4.04850716 6.04956162 -0.28495931 0.04828339 0.14892860 Ni 0.03223395 5.93511213 6.03591608 1.11436658 -0.16778841 -0.03587278 Ni 3.96139977 4.00305385 4.03445681 -0.32758477 -0.50840699 -0.21610954 Zr 6.03076928 6.02003373 3.96073018 0.72876253 -2.12464188 -0.95904199 Ni 6.01122157 4.00611797 5.98177561 0.09963945 0.13900979 0.17336809 Zr 3.99059493 5.97592630 6.01199217 -3.06173476 -2.30610828 -1.37973862 Ni 8.01121611 4.05209332 3.98468280 0.11991840 0.10338164 -0.48085599 Zr 9.97094784 5.98225016 4.00374479 0.41514036 -1.63518154 0.87224194 Ni 9.96999838 4.04115452 5.99292985 -0.82420381 -0.24613039 0.67859756 Ni 7.97454517 6.02143142 5.97931199 0.58005421 -0.52623852 0.68038600 Ni 0.02225910 7.98972425 3.98604828 0.74981301 -0.25874482 0.28945898 Ni 1.99552789 10.02119409 4.02196657 -0.00796596 -0.74350130 0.13334313 Ni 2.05247962 7.97346185 5.91843316 -0.37382049 0.40456851 -0.20424572 Zr 0.03779332 9.99745717 6.02247587 0.93936561 -0.05140205 -0.73885507 Ni 4.02335127 7.96310758 4.02626581 -0.30516290 0.91249921 0.03954769 Ni 5.94981342 10.01214178 4.03965037 -0.17551399 -0.70474775 -0.28743835 Zr 6.01641241 7.95438314 5.96163104 0.12807926 2.36842546 -0.02841368 Ni 3.94537385 9.97424602 5.98333564 -0.29490309 -0.73429818 -0.28183404 Zr 8.01727425 7.98150762 4.01810766 0.14712306 0.38950510 -0.42043878 Ni 9.97339076 9.96770051 3.99753163 -0.29899919 -0.68448963 -0.08277736 Ni 9.96255530 8.01868159 5.97159963 -0.76158241 0.05609761 0.36461956 Zr 8.01825258 10.00503765 6.02739114 0.90369744 1.13305911 0.80836169 Ni 0.02276190 0.02435871 7.96404413 0.80105287 0.65863701 0.20842156 Zr 1.99165898 2.03666207 7.96587603 -0.74601705 -0.12797039 -0.41509375 Ni 1.95538191 0.02012195 9.99514910 -0.22619796 0.66755627 -0.54193275 Ni 0.00839206 1.99105664 9.97163922 0.69614101 -0.21091413 -0.89468037 Zr 4.03273631 0.02693938 7.95510514 -1.88426925 -1.90218523 -0.68029994 Zr 5.96488133 2.02474608 8.00964698 0.33539462 1.60202359 -1.74675938 Zr 6.00080432 0.00761487 10.01947745 1.02386509 -1.88355221 0.84962507 Zr 4.02602618 1.93707069 10.00755881 -1.37398572 0.24808565 1.97058591 Ni 8.03084764 0.04521339 7.96174810 0.22269475 0.30765021 0.56843208 Ni 10.02261418 1.98151508 8.04810638 -0.70991022 -0.06910632 -0.06252192 Ni 9.97756646 0.01944369 9.99918494 -0.85084310 1.00878318 -0.97392282 Zr 7.96022898 2.00820065 9.95849940 1.81740742 -1.15272234 0.40613751 Ni 0.03208169 3.99596715 8.02584759 0.50929313 0.40959896 -0.20808218 Ni 1.98444240 6.02288317 7.96520982 -0.41859085 -0.71392812 0.02566756 Zr 2.00567304 4.00933274 9.99990133 -1.49639205 0.58591380 0.08213366 Ni 0.00788193 5.98095014 9.96274818 0.57706255 0.12717019 -0.55197745 Ni 3.96940355 4.01196202 7.94785090 -0.20900888 -0.00612613 -0.15288782 Zr 5.96251399 6.02599748 7.99558050 3.29983775 -1.16232413 0.63238254 Zr 5.95311776 3.97497029 9.97288085 0.96182925 1.06180415 1.19619731 Zr 3.99066553 6.00211172 10.01391281 -0.14456184 -0.05097025 1.39226203 Ni 7.98945233 3.95837811 8.02550561 0.72435933 0.50579358 -0.37676288 Ni 9.99713044 5.96731159 7.97616507 -1.19808044 0.16395084 -0.10537065 Zr 9.94037981 3.95462858 9.97493776 -0.05916698 0.90216561 -0.85534644 Ni 7.98045066 6.03154805 9.94754149 0.33420244 0.28129237 -0.63071729 Zr 0.04611433 7.96809767 7.96869329 -0.22181944 -1.62613557 -0.95145878 Ni 1.99233519 9.99068431 8.03217303 0.10711831 -0.43678830 -0.07740090 Zr 1.99741477 7.97111616 9.98078942 0.14392015 0.13391278 1.21169865 Zr 0.03536660 9.97084855 9.97747087 -0.06636448 0.75851411 0.00691996 Zr 3.99396747 7.95228426 7.93594489 -1.32324553 3.13526496 0.39958987 Ni 6.01782384 10.02222234 7.99303154 0.04308910 -0.79538326 0.37635533 Ni 5.92498581 7.98496205 9.98555480 0.28943279 0.51739474 -0.51823327 Ni 4.01022389 9.97976075 9.95178254 0.13034871 -0.69752562 -0.61069125 Ni 7.97698294 7.98450649 7.95196649 0.63015968 0.22964630 0.49291411 Ni 9.98543884 9.96393179 7.97648471 -0.82193784 -0.91828486 0.29024735 Ni 9.99226070 7.98688018 9.96713675 -0.99519406 -0.07910040 -0.97210006 Zr 7.94336819 9.99359100 10.01306161 -0.04778797 -1.42237517 -1.17801505