108 Lattice="11.990615650733822 0.0 0.0 0.0 11.990615650733822 0.0 0.0 0.0 11.990615650733822" Properties=species:S:1:pos:R:3:forces:R:3 energy=-506.4971001434515 stress="-0.006696080571407544 0.004481439064236247 -0.0010251267704394138 0.004481439064236247 -0.00666926227914905 -0.0003357927567967706 -0.0010251267704394138 -0.0003357927567967706 0.0055858965976429645" pbc="F F F" Ni 0.03537446 0.03528589 0.00921351 0.98420789 0.66774288 0.80895184 Zr 2.02373303 1.94958333 0.02027112 -2.99726151 0.16882489 -0.08873055 Ni 1.96428134 0.01110919 1.99366108 -0.27569730 0.83991840 0.20938592 Ni 0.02238014 1.99762527 1.99676644 1.00395521 -0.37501688 -0.14029517 Zr 3.97609946 0.01142358 0.01438481 -0.77881469 -2.05741213 -1.18402287 Zr 5.96401396 2.01620803 0.02796485 2.10873623 0.07308453 -1.16866445 Zr 6.00256628 0.02152572 2.02450770 1.89553305 -0.93352700 1.66704707 Zr 4.00174200 1.96438893 1.98456558 -1.00710011 0.09228059 3.03923011 Ni 7.98183149 0.00520469 0.01058735 0.10767168 0.75664166 0.76424158 Zr 9.99190931 1.97502727 0.03933588 -0.19068876 -0.76584904 1.01691843 Ni 10.00024255 0.00962099 2.02205380 -1.13561896 0.77727356 -0.14097148 Ni 8.02916969 2.00229592 1.93497844 0.10720095 -0.44108719 0.12757197 Ni 0.00617210 3.99701289 0.01578124 1.08103457 0.18833103 1.07962139 Ni 2.00643301 6.04093346 0.01804354 -0.42264262 -0.26275279 0.52364495 Ni 1.99230306 4.00870924 2.00446414 -0.93661980 -0.11351010 -0.58292550 Ni 0.03827355 6.01383288 1.98728378 0.65021883 -0.37740562 -0.32962839 Zr 3.97128365 3.98123016 0.02110166 -0.06058255 1.85599687 -1.21501112 Ni 5.98648696 5.99006473 0.00363578 0.19454321 0.15468201 0.85781986 Ni 5.99083793 4.06229667 1.95843240 0.48782065 -0.36390287 -0.21322018 Zr 3.97467250 5.96738627 2.01407770 1.06138608 1.12987960 -2.08839208 Zr 8.02882118 4.00448853 0.03383576 -0.22444179 1.57296450 0.71380791 Ni 9.96143311 6.01710286 0.02340052 -0.39449726 -0.16434901 0.61738210 Ni 9.96629981 4.04189733 2.02201182 -0.48377729 0.24970486 -0.23333980 Ni 7.98437065 5.97759865 1.92980804 0.09118334 0.23534989 0.07737866 Zr 0.03850647 7.98984125 0.03152510 -0.70985717 -0.82785879 0.04650568 Zr 2.03626556 10.01681457 0.03036021 0.85433667 0.67352165 0.08873702 Zr 2.01849656 7.96132652 2.01525534 0.67234793 0.38673819 -1.27300673 Ni 0.01948904 10.00386269 1.97147594 0.45444744 -0.45443249 -0.04642895 Ni 3.97343858 8.01738065 0.03882069 0.25023834 0.02488397 0.57857353 Zr 6.02298520 9.99515043 0.01680220 -1.85393720 -0.04478827 0.11252182 Ni 5.97194411 7.99599146 2.00316147 -0.05543391 0.05184251 -0.30877731 Ni 3.97454883 9.97414049 1.98689776 0.41775131 -0.92524844 -0.06367196 Zr 7.99607587 7.98898112 0.00434895 -0.21616629 -1.68992587 -0.85942218 Ni 10.00536114 9.99852457 0.02345108 -0.61578243 -0.49721087 0.41088667 Zr 9.97748970 7.99670589 1.99199426 0.77782314 -1.03043495 1.15349240 Zr 8.00112071 9.99595333 2.01488232 0.80748565 0.85602741 0.87187374 Ni 0.03707873 0.02726187 3.98208088 1.05944549 1.34367170 0.16025257 Ni 2.03433964 1.96871495 3.99868191 -0.85710536 -0.68252390 -0.15241299 Ni 2.02247110 0.02659972 6.00790384 -0.51546576 0.56727836 -0.49166442 Ni 0.00104107 2.01323017 5.99495915 0.70857623 -0.25343887 -0.17400840 Ni 4.03283342 0.00397358 4.04908072 -0.10515787 0.68989431 0.06765367 Ni 6.00087127 2.01500683 4.00613885 0.54180507 -0.65955035 -0.19801663 Ni 5.96172568 0.03151112 5.92840319 0.37069810 0.89735750 -0.25689617 Zr 3.97117339 2.02548872 6.00877043 1.07334943 -2.13937285 -1.14783703 Ni 7.98014337 0.02498771 3.98407322 0.21943874 0.92688861 0.14267910 Zr 10.00412450 1.96908465 3.96301280 -0.17793993 -1.48999034 -0.74622151 Ni 9.96258038 0.03833156 5.98881823 -0.84897780 1.07359703 0.32358588 Ni 8.00360876 1.97270605 6.01420442 0.11333207 -0.78219876 -0.00825689 Zr 0.03423587 4.03190326 3.97961859 -1.05150609 -1.98531154 -1.98875473 Zr 1.99493061 6.03606681 4.02866244 0.82627739 -0.19598276 -1.06246196 Zr 1.96265978 4.03925481 6.02846219 -0.25645407 -0.25903294 1.92581702 Zr 0.03451546 6.00864002 5.95864523 -2.40705292 -0.90416995 2.20237734 Zr 3.95350421 4.01916170 4.02489169 0.15514313 -1.28418703 -1.11073445 Zr 6.00468877 5.96466998 4.00686418 0.17375095 3.33108374 -1.01506679 Zr 6.03114156 3.96794748 5.97695108 -0.98537949 -1.93325271 0.81524603 Ni 3.97112249 6.02118090 6.01198087 0.14929972 0.52303214 0.38872141 Zr 7.99283926 4.01044740 3.97341776 0.37317014 -1.11687868 -2.94954654 Ni 10.01763894 5.93882500 3.99287132 -0.62595008 0.22051483 -0.46339701 Zr 10.01157127 4.03641679 5.97923088 1.92801686 -0.28243140 0.94920329 Zr 8.03154397 6.02550934 6.02985251 1.02255271 2.99953284 -0.12300614 Zr 0.02948087 7.96185842 4.02315223 -3.19564876 1.25671194 -1.12392760 Zr 2.02838970 9.98433768 3.96541889 0.75794500 2.00587376 -0.04106730 Zr 2.02024707 8.01463720 5.96149329 2.88515690 1.14385888 2.34416041 Ni 0.01220674 9.96934224 6.01502811 0.59095323 -0.55736013 -0.08208716 Ni 3.99172564 8.00852686 3.97233133 0.75702680 0.51489444 0.36894187 Zr 5.97297420 10.02891320 3.97931472 -0.86751470 -1.14872968 0.89108603 Ni 5.98203214 7.97456050 6.01707794 -0.19187947 0.83228094 0.10339381 Ni 4.06671369 9.97505951 5.98542344 -0.09508484 -0.78948638 0.48036662 Ni 7.98534381 8.04020434 4.00345436 0.12442160 0.16536272 -0.11903783 Ni 10.02556252 10.01341834 4.05048286 -0.83785344 -0.69041314 0.05648641 Zr 9.96948022 8.00644895 6.01660276 0.11801890 0.83435549 -0.04260435 Ni 8.00781036 9.95666790 6.05784172 -0.12368461 -0.97624424 0.01251868 Zr 0.01725778 0.01276067 7.96088316 -0.78731476 -0.73918120 -1.81396714 Zr 2.01453434 2.02237176 7.99693041 -1.23261758 0.69642032 -1.54792493 Zr 1.96005627 0.00380643 9.97158834 0.22699253 -1.91886456 1.83197466 Zr 0.00683483 1.97023367 9.97126524 -1.67593578 1.11892582 0.96929203 Zr 4.00546335 0.01542414 7.97161201 1.02382986 -1.89384513 -1.36089297 Ni 6.04173773 1.99148489 7.94999937 0.05894393 -0.53511172 0.41078021 Zr 6.02859105 0.03525229 9.97988219 1.53033119 0.12764183 0.01866966 Zr 3.96031550 1.97353494 10.02829457 1.10913826 0.68572718 1.24107477 Ni 7.93943627 0.02544349 7.93291493 0.18966650 1.20569096 0.08434152 Ni 9.95391381 2.00090208 7.93944917 -0.93531561 -0.48796391 0.09167300 Zr 10.01174964 0.01671779 9.97895838 -1.29849178 1.07484345 -1.23692168 Ni 8.00888607 1.94140511 9.96372586 0.36726998 -0.23858962 -0.79764793 Ni 0.02662944 3.96187064 8.04612601 0.18860068 0.18769143 -0.08664284 Ni 1.97768344 5.94748258 8.00017021 0.33241879 0.00740059 0.09546770 Zr 2.03116698 3.98604243 9.96860737 -0.19924989 0.96642124 0.38901756 Zr 0.00369455 6.02631255 9.93604579 -0.86190080 -1.21469013 0.22109222 Ni 4.06302467 3.95397395 7.99209396 0.00790586 0.37933786 0.26415758 Zr 6.00037701 5.99678795 7.97210264 -2.05343932 2.02784255 -1.35575163 Zr 5.98926853 3.97994078 10.02648455 0.01375912 -1.78635195 1.10610641 Zr 3.97792021 5.99756707 9.98794740 -0.83649476 -0.02054768 0.16265231 Zr 7.96099421 3.96541688 7.98496769 2.16215840 -2.71961980 1.46851411 Ni 10.01510245 6.03421686 8.03121281 -0.65284553 0.07433241 0.35822707 Ni 9.99822389 4.07123322 9.96763638 -0.60262652 -0.17295200 -0.74532968 Zr 7.97087984 6.06997216 10.00658267 1.87899883 -0.15407449 0.96651691 Zr 0.03652334 7.97314980 7.97755310 -0.96218121 1.80908366 -0.05812172 Ni 2.06246935 9.98543663 8.00389922 -0.20164175 -0.48543427 -0.02609322 Zr 1.96292545 7.99560389 9.97210508 0.35087498 0.92953604 0.34358773 Ni 0.00691463 9.97281642 10.02080521 0.70525084 -0.67295241 -0.62780905 Ni 3.93760288 8.00573016 8.03641810 0.11420988 0.35120198 -0.33356030 Ni 5.99562481 10.02594720 8.00869343 0.03892329 -1.17323727 -0.19845072 Zr 5.98222545 7.96914171 9.99087861 -0.09957576 1.26131422 0.10670925 Zr 4.00595472 10.02145096 9.97654023 0.07006813 0.51200668 -0.76140515 Ni 8.03016634 8.01796792 8.02044952 -0.03618047 0.58035667 -0.11060341 Ni 9.96349061 9.99928960 8.01650653 -0.71247510 -0.65094295 -0.06207368 Zr 9.97691328 8.06639856 9.98837417 0.74556357 -0.32966039 -0.83974223 Zr 8.00161125 9.99361595 9.98953253 -0.42134383 0.57163432 -0.93148458