108 Lattice="12.113822738749587 0.0 0.0 0.0 12.113822738749587 0.0 0.0 0.0 12.113822738749587" Properties=species:S:1:pos:R:3:forces:R:3 energy=-504.4338079190859 stress="2.8978426833922484 -0.6824874347226384 -4.958545747834172 -0.6824874347226384 -0.461196117129262 -0.021749761417453328 -4.958545747834172 -0.021749761417453328 -0.45272421323110024" pbc="F F F" Ni -0.01718509 0.01495650 0.02775317 0.86896642 0.70713087 0.84585722 Zr 2.01021852 2.00246958 0.02113515 -0.86975958 -0.07674117 -1.74586648 Ni 2.05105572 0.02460217 1.98980279 -0.31661376 0.52293973 0.24637359 Zr 0.01458903 2.03143481 2.04257811 -0.76619003 -0.19153283 -0.08313395 Zr 4.02414525 0.00084289 -0.02682935 0.94474101 -0.68790862 0.19903546 Ni 6.01763468 2.00230228 -0.02982488 0.12766753 0.06828282 0.77254558 Ni 6.08515173 0.01447246 2.04307361 0.25801949 0.81014268 -0.08483539 Zr 4.00596597 2.00260981 2.01960116 0.14028030 -1.86826547 -0.00636407 Zr 8.04446492 0.02696649 0.05096568 -1.57867111 0.34982294 0.20733565 Zr 10.11049388 2.01885677 0.00463342 -0.35068485 1.66295113 0.38847169 Zr 10.11442818 0.01330044 2.00024792 -0.27347545 -0.49585298 0.96095951 Ni 8.12819472 2.00914630 2.01814588 0.03116210 -0.17483540 -0.25851614 Ni -0.03956427 3.97346578 -0.03530646 0.70555340 0.31600598 0.69288358 Ni 2.02174135 6.04360866 0.00161098 -0.18693722 -0.06079198 0.70098185 Zr 2.01327867 4.06150682 1.98497347 -2.07128013 0.69446314 -0.95256306 Ni 0.00059816 6.07733277 2.04629546 0.68076710 -0.05225193 -0.22662703 Ni 4.03177862 4.04269083 0.00809038 0.01173271 -0.03358528 0.27287327 Ni 6.09090695 6.04123559 -0.01242695 -0.08972401 0.16847679 0.61073863 Zr 6.08988062 4.00545955 2.00311008 0.85209563 -0.04675017 -2.75954258 Zr 4.00082216 6.01133496 2.03014159 1.34216391 0.05706485 -3.20441253 Ni 8.07997397 4.02152659 -0.02572693 0.23998895 -0.13092565 0.91882087 Ni 10.06784414 6.05242054 -0.02024333 -1.02192140 -0.11614991 1.10360347 Ni 10.12521594 4.00987674 2.03904676 -0.82027480 -0.28850426 -0.30007485 Zr 8.10981462 6.03677401 1.99166646 0.84726067 1.06667725 -1.87318647 Ni 0.00266968 8.04929455 -0.03759994 1.17177140 -0.01692354 1.18704203 Ni 2.02203624 10.08700543 -0.01692594 -0.07828262 -0.90677860 0.95951961 Zr 2.02569840 8.07011726 1.99073505 -3.04624579 0.19949800 -2.77186628 Ni -0.02945630 10.08815983 2.01026016 0.89522275 -0.88160289 -0.01716188 Ni 4.02675391 8.01345565 0.01486402 0.04313914 0.18001817 0.45126656 Ni 6.06321230 10.08072071 -0.00655757 0.11208065 -0.85442433 0.70361646 Zr 6.02883522 8.08071399 2.03322355 1.25810649 0.00869339 -1.17294970 Zr 4.05187152 10.10805558 1.99606933 0.66951059 1.75046873 -1.64909894 Ni 8.10449292 8.12637941 0.02207008 0.25931925 0.06560362 0.70462989 Ni 10.06911538 10.13014438 -0.03834315 -0.96870157 -0.83525964 0.93116219 Ni 10.08188512 8.11687034 2.02466420 -0.88732486 0.22665465 -0.20712767 Zr 8.10114678 10.10013413 2.03008269 0.80539975 -0.26723335 0.01806354 Zr 0.02770268 0.05269458 4.05712392 0.26559801 0.10196580 -0.04073464 Ni 1.99904670 2.01793027 4.02840847 -0.07318175 -0.21022655 0.31467373 Zr 2.02298519 -0.00506529 6.08128219 1.57837948 0.13905830 -0.84046895 Ni -0.02423447 2.04511345 6.07405676 0.73868761 0.20573219 -0.26306792 Ni 3.98463067 -0.03465482 4.02867229 -0.23266026 0.94660986 -0.11998802 Zr 6.02377056 2.03687886 4.06736999 1.03084871 -2.83995080 1.87667830 Ni 6.05960546 -0.00423992 6.04630327 -0.31928421 1.02794649 0.17344134 Ni 4.01134481 2.00225913 6.09504263 0.24663656 -0.35043813 0.11460609 Ni 8.09787409 -0.03799164 4.08594046 0.04215508 0.98598700 -0.03971152 Zr 10.08613293 1.99677066 4.07154302 -0.19881959 -0.78435809 -0.10414888 Ni 10.07183465 -0.03908292 5.98378121 -0.86701948 0.84092205 0.03597815 Ni 8.03311212 2.01890041 6.09944019 0.15334982 -0.43204241 -0.05281125 Ni -0.02630912 4.02591674 3.98969682 0.77324859 -0.21754299 0.16431593 Zr 2.04835781 6.04588740 4.05164843 -3.42633519 -0.08824023 0.76988592 Ni 2.02468346 4.07368399 6.05108743 -0.55531266 -0.84134410 0.13665598 Zr -0.01059802 6.03775804 6.05902348 -1.05008754 -0.89401952 -0.76012604 Zr 3.99380564 4.04201945 4.07306018 0.25357242 -1.38760261 2.58869061 Ni 6.02528623 6.07631628 4.00314136 0.54777330 -0.01678782 0.42437587 Ni 6.08214484 4.08380696 6.07510074 0.06799112 -0.40271828 0.22361076 Zr 4.06229834 6.10247932 6.03003694 2.05752721 -0.27425730 0.58517675 Zr 8.07673595 4.06069560 4.08298365 -0.89311078 -1.29359833 -0.17121414 Zr 10.06978636 6.02957119 4.00983112 1.87363964 1.98279382 -0.80467045 Zr 10.10340652 4.07003608 6.03160149 1.94128260 -1.12339577 0.25988345 Zr 8.07641028 6.05023811 6.05659483 -2.50299209 2.15412927 -0.91520553 Ni -0.02970583 8.08242972 4.06334898 0.67585412 0.12282430 -0.13698614 Zr 1.99378946 10.10291662 4.00821158 -1.36173078 0.92943001 -0.01610703 Ni 2.01711871 8.08332218 5.99802716 -0.74030139 0.46924707 -0.01985195 Zr 0.03987890 10.12703401 6.02418064 -0.85067897 -0.05797231 -0.62514206 Zr 4.05110131 8.04994482 4.01132915 1.77777909 0.87570395 1.84556404 Ni 5.98127336 10.10436988 4.00453108 0.43428518 -0.59769539 0.30746786 Ni 6.06724558 8.14307194 6.04094310 0.19066824 -0.09297232 -0.47437964 Zr 4.07212254 10.11275788 6.07423960 0.64436914 0.97037139 -1.18953912 Ni 8.03265960 8.13643905 4.05747313 0.26520593 0.09004966 0.05146490 Ni 10.12239290 10.06515099 4.08365759 -0.86269194 -1.01461399 -0.20446403 Ni 10.07538164 8.08022637 6.05217698 -0.51240839 0.16089777 -0.14231042 Zr 8.09736536 10.11942989 6.02455871 0.52226350 -0.04200064 -1.51603961 Zr -0.03515461 -0.00312924 8.08880853 -0.56679540 0.29373411 0.57315756 Zr 1.99650927 1.99713326 8.09001193 -0.84456048 0.09875861 -0.92084574 Ni 2.04592193 0.00381946 10.06819837 -0.07333204 0.67712922 -0.82007450 Ni -0.03123812 2.04505176 10.07741972 0.78282934 0.05108487 -0.73336554 Ni 4.03359186 0.02762605 8.10977214 0.24234658 0.84051209 0.05601451 Ni 6.12165841 2.05562425 8.04127957 -0.18865648 -0.41774203 -0.00569590 Ni 6.03220125 0.00795784 10.06232259 0.37649050 0.84882093 -0.86336616 Zr 4.06623906 1.99733655 10.11526353 1.75409634 -1.52934636 0.58506063 Zr 8.08984503 -0.00837219 8.10656812 -1.70451762 0.22920893 -1.01811994 Zr 10.06172500 2.04427164 8.13996927 0.86274702 -0.05938930 -0.40591941 Zr 10.02119757 0.02765698 10.13250140 -0.05486425 0.12246190 0.79518381 Ni 8.04706892 2.01962709 10.08777440 -0.28295256 -0.05884449 -0.62194364 Ni 0.01548369 3.98261879 8.05990345 0.54926921 -0.14131229 0.08691969 Zr 2.00354654 6.05148348 8.07508439 -0.21882657 -0.73915763 -0.75936555 Zr 2.04282171 4.05561109 10.05591889 -0.96798966 0.11134686 1.91264318 Zr -0.01326809 6.05835157 10.06888587 -1.49214762 -0.86033237 0.70386992 Zr 4.03746476 4.04992042 8.09424244 2.86201170 -0.00124237 -1.14877234 Ni 6.10258557 6.05253987 8.07312969 -0.05423419 -0.00354662 0.50030398 Ni 6.00432608 4.09752062 10.08580443 -0.01573224 0.14149691 -0.87160615 Ni 4.03154375 6.06833058 10.07997428 0.25584952 -0.12065040 -0.35172981 Zr 8.08152471 4.04025620 8.06634578 -2.65900932 -0.84702224 1.89147094 Zr 10.07538895 6.04805253 8.11183904 1.64798895 0.20546017 0.91111299 Ni 10.12901590 4.05418442 10.10557664 -0.71482226 -0.12797194 -0.58347383 Ni 8.04298409 6.06768615 10.12239879 0.22183546 -0.03243303 -0.72051151 Zr 0.00710885 8.10729602 8.08470356 -1.59100459 0.96582585 0.02008032 Zr 2.02897135 10.12179888 8.04537803 -0.63490768 1.55455092 0.21024895 Zr 2.05227442 8.07228299 10.11231727 -0.19237422 -0.04037884 2.43264238 Ni 0.01735257 10.12357485 10.05887964 0.63769778 -0.58485963 -0.49655672 Zr 4.05288540 8.05360409 8.08323100 0.86930687 -1.46105232 -0.56395772 Zr 5.99998541 10.10292814 8.05906415 0.15398309 1.87220447 -0.58404487 Zr 6.08247027 8.06228957 10.08225326 -0.22083846 -2.49296051 1.74152246 Zr 4.02183572 10.06611780 10.12202102 0.09618227 1.66670810 1.51196435 Zr 8.04983806 8.10084643 8.03595397 0.19769734 -0.86608530 -0.65526928 Ni 10.05811049 10.08709840 8.11473370 -0.60019807 -0.65656372 -0.11943920 Zr 10.12663523 8.15267833 10.08031954 0.44399711 -0.26927576 0.51323923 Zr 8.06989049 10.05811181 10.05998222 0.55007222 1.72039515 0.80066694