256 Lattice="13.978790784063584 0.0 0.0 0.0 13.978790784063584 0.0 0.0 0.0 13.978790784063584" Properties=species:S:1:pos:R:3:forces:R:3 energy=-1028.5729656293067 stress="-0.008830003309356071 2.8193139111659457e-05 -0.0008403464638355714 2.8193139111659457e-05 -0.008592987414712691 -0.00029336284503567325 -0.0008403464638355714 -0.00029336284503567325 -0.008292000496166976" free_energy=-1028.5729656293067 pbc="F F F" Ni 0.01219877 0.03064171 0.01369479 0.18284820 0.22435778 0.20985873 Ni 1.72073734 1.76222507 0.02150332 0.61524827 0.18227298 -0.35414832 Ni 1.74006598 0.01599189 1.71985735 0.32670087 -0.33085620 0.38983380 Ni 0.00785619 1.71419428 1.78591672 -0.33830969 0.65152460 -0.08418131 Ni 3.50737566 0.00831095 0.02828102 -0.19461164 0.08192927 0.01448050 Ni 5.21631773 1.73685740 0.01071450 0.11889499 0.46385591 -0.36332579 Ni 5.25636789 0.02698552 1.74738424 -0.13474242 -0.48644238 0.27759107 Ni 3.52229162 1.78730222 1.76183013 -0.38708151 -0.26765735 -0.26187926 Ni 6.97277941 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7.01800217 0.02216104 -0.15082370 -0.25315229 -0.59349363 Ni 5.28082841 8.73701996 0.02967515 -0.19640902 -0.12744169 -0.57342800 Ni 5.20723546 6.98431769 1.74281076 0.62206161 0.29217959 0.38181159 Ni 3.50153091 8.75430942 1.71637779 0.17829963 -0.25320955 0.74872977 Ni 7.01718409 7.00013706 0.02177216 -0.21763735 -0.21636290 -0.30734376 Ni 8.77044105 8.71351394 0.00100196 -0.16711559 0.25453703 -0.33962430 Ni 8.72293128 6.99557211 1.78223343 0.24147138 -0.13175204 -0.17283378 Ni 7.01145850 8.76266308 1.71639615 -0.27912191 -0.28716958 0.66308892 Ni 10.50275878 6.98332727 0.02677373 -0.23489892 0.04638300 -0.25778031 Ni 12.24504047 8.76712907 0.02631173 -0.02106681 -0.23745971 -0.05052630 Ni 12.22147877 6.97615394 1.71645486 0.34271177 0.19957610 0.51698743 Ni 10.47324798 8.75920657 1.75572438 0.06476473 -0.40381102 0.20520117 Ni 0.01531920 10.46629659 0.02098979 0.07617930 -0.11709962 0.11525011 Ni 1.72518324 12.23191272 0.00352467 0.50960135 -0.22964833 0.12243155 Ni 1.80961675 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0.00755287 0.03285109 3.50465087 -0.07594183 -0.22686305 -0.11405402 Ni 1.76504991 1.72515698 3.50083910 -0.04640135 0.49875323 -0.21263097 Ni 1.73040590 0.01246286 5.20929773 0.37240561 -0.53744611 0.25866974 Ni 0.01756364 1.74649241 5.24124287 -0.46491685 0.22345566 -0.01556973 Ni 3.47379264 0.03061042 3.47122996 0.22127172 -0.58402276 0.10402973 Ni 5.22386277 1.72864250 3.48812696 0.24808707 0.40445814 0.18187051 Ni 5.27257453 0.00209924 5.23498134 -0.35606136 -0.26671070 0.13139185 Ni 3.46409091 1.77297709 5.23266786 0.50431368 -0.11589190 0.12439773 Ni 6.99692344 0.01621157 3.48951449 0.07792577 -0.39543305 -0.13489462 Ni 8.75937007 1.74875509 3.47988611 -0.24713009 0.08264624 0.17026234 Ni 8.70375235 0.03009416 5.27056021 0.43387089 -0.64429582 -0.40949882 Ni 6.99835010 1.71841552 5.24426652 -0.22973732 0.66801052 -0.11085386 Ni 10.50699536 0.02795664 3.47966873 -0.47761047 -0.47712189 -0.01825908 Ni 12.22123030 1.72790203 3.48189720 0.38274315 0.50119280 0.09563475 Ni 12.18526018 0.00352528 5.23381192 0.01706507 0.18786506 0.28198271 Ni 10.45681966 1.76870857 5.21489621 0.23795321 -0.14386957 0.42597180 Ni 0.03111952 3.47447618 3.52104682 -0.32948041 0.26900060 -0.36685247 Ni 1.76613119 5.26010398 3.46469767 -0.26640705 -0.31123887 0.36953943 Ni 1.72713620 3.49290611 5.27038298 0.61035773 0.18742626 -0.39301890 Ni 0.02075995 5.23677232 5.26707208 -0.42577699 0.27526151 -0.37043791 Ni 3.47777506 3.48965833 3.46693809 0.13923309 0.28206600 0.51817133 Ni 5.26791738 5.23470199 3.46145512 -0.32593056 0.11487391 0.64365859 Ni 5.21849380 3.50300239 5.24652029 0.25929710 -0.17986443 -0.13155125 Ni 3.49399166 5.27607822 5.26330735 -0.31579953 -0.53055632 -0.29023764 Ni 6.97409537 3.46702907 3.48940365 0.18275205 0.11013119 0.33009114 Ni 8.70651361 5.27656419 3.52691908 0.21096791 -0.61977778 -0.48234290 Ni 8.75345148 3.52275410 5.26089515 -0.41229462 -0.32201824 -0.19737661 Ni 6.99319318 5.27624424 5.24881718 -0.29109743 -0.54629333 -0.01627731 Ni 10.47277494 3.50790423 3.52323578 -0.22064689 -0.24117332 -0.46095744 Ni 12.20232869 5.24691212 3.47825969 0.67609792 0.10922624 0.21046872 Ni 12.19890934 3.49740632 5.21591652 0.61884804 -0.16919377 0.10786069 Ni 10.48622664 5.21271948 5.22201997 -0.15841432 0.53636279 0.39521845 Ni 0.00248570 7.01399736 3.46868040 -0.38569347 -0.23812186 0.16567516 Ni 1.75775416 8.71402260 3.50108024 0.12630559 0.35216820 -0.22942552 Ni 1.72300698 7.01401716 5.21809313 0.35830209 -0.26526387 0.49004626 Ni 0.02397103 8.73298401 5.25983423 -0.55573879 0.20060260 -0.12230272 Ni 3.46486015 6.95639547 3.51493296 0.46168515 0.49517650 -0.20334756 Ni 5.23433254 8.71359396 3.50828763 0.22188863 0.31668002 -0.19772604 Ni 5.21293639 6.95665871 5.25061493 0.26052552 0.49720663 -0.20348576 Ni 3.48180073 8.76680823 5.21659012 0.14262437 -0.42772926 0.51859797 Ni 7.00755767 7.00533849 3.51886467 -0.57658646 0.05257053 -0.36613481 Ni 8.72345852 8.71416565 3.52212074 0.09348176 0.38431689 -0.04893624 Ni 8.72103059 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0.39409584 Ni 8.75026233 3.52588468 12.23370350 -0.10750667 -0.18292725 0.40493455 Ni 6.97886181 5.26793724 12.24226076 0.10669510 -0.25640166 0.07376475 Ni 10.45796880 3.51074672 10.47126851 0.27668194 -0.22629703 0.03643762 Ni 12.22585417 5.20977121 10.45654085 0.25509456 0.46894087 0.12555791 Ni 12.22185732 3.51240651 12.19963029 -0.04508149 -0.07422491 0.11806634 Ni 10.50012342 5.26079739 12.25598157 -0.24148299 0.05075188 -0.02138789 Ni 0.00406384 6.97070454 10.44249568 -0.33941890 -0.06719195 0.14559331 Ni 1.73792158 8.71484197 10.47890571 0.42233512 0.37045652 -0.10451846 Ni 1.75641982 6.95911825 12.20913257 0.11937039 0.33137464 0.41405661 Ni 0.03390087 8.70620404 12.20276095 -0.03061862 0.09102452 0.06766264 Ni 3.48914149 7.01241069 10.50479036 0.13888412 -0.17060191 -0.49979901 Ni 5.24992266 8.74697240 10.46601553 -0.11123133 -0.03720114 0.13807536 Ni 5.26877961 6.97060590 12.22414472 -0.31398826 0.28395043 0.27496206 Ni 3.50620899 8.76584364 12.23317001 -0.14249136 -0.19742039 0.29407296 Ni 6.95910112 7.00518573 10.47547418 0.34979654 -0.29447286 -0.29215444 Ni 8.72089202 8.70632489 10.48827762 0.11750705 0.37573965 -0.25089653 Ni 8.74888180 7.00552142 12.20076575 -0.13206183 -0.28791005 0.46911888 Ni 7.00277133 8.74386690 12.24829379 -0.03044926 -0.02435575 0.27750607 Ni 10.45424020 7.02421696 10.46816945 0.34310716 -0.58011278 0.00057099 Ni 12.22052842 8.71111507 10.44935223 0.44282139 0.24293971 -0.14122915 Ni 12.21801733 7.01648485 12.22724811 0.06085321 -0.29243573 -0.21859731 Ni 10.51243736 8.71079068 12.20715416 -0.49043261 0.26576804 0.43073948 Ni 0.00882765 10.45677570 10.47933840 -0.15764054 0.21963277 -0.14427249 Ni 1.75696523 12.23211903 10.47553327 0.17406895 0.22537089 -0.15925059 Ni 1.74275082 10.51748708 12.23936286 0.04622121 -0.56365809 0.09446591 Ni 0.02470089 12.25500419 12.22799434 0.33142303 -0.40202301 -0.46769823 Ni 3.50543735 10.48150348 10.48687409 -0.17555853 -0.23597563 -0.21575355 Ni 5.20843443 12.22196334 10.47937057 0.35368694 0.23538910 -0.00741154 Ni 5.26671548 10.47372265 12.21971598 -0.13049913 -0.06253910 0.33280548 Ni 3.47029701 12.18857984 12.24600336 0.18299601 0.09075280 -0.03959592 Ni 7.01972328 10.46781778 10.50665148 -0.17260017 0.25469133 -0.28134632 Ni 8.75564013 12.21794770 10.46481267 -0.11660609 0.31353182 -0.06787514 Ni 8.77721997 10.50466711 12.24595738 -0.18438194 -0.42560307 0.16064316 Ni 6.97176674 12.23025021 12.25744056 0.17117977 -0.15078968 -0.33497383 Ni 10.49758890 10.46834437 10.48609163 -0.19254135 0.07567601 -0.29150765 Ni 12.21778885 12.26155322 10.51400777 -0.24165072 -0.23872347 -0.33870632 Ni 12.18593243 10.47386154 12.21677850 0.07390429 -0.19525845 -0.06309798 Ni 10.45823801 12.24498169 12.24895128 -0.10247467 -0.09847740 -0.21538574