500 Lattice="17.49660279067706 0.0 0.0 0.0 17.49660279067706 0.0 0.0 0.0 17.49660279067706" Properties=species:S:1:pos:R:3:forces:R:3 energy=-2018.056504060183 stress="-0.007328383821529445 0.00044269145195781286 0.00028865308203067375 0.00044269145195781286 -0.007174531028028056 2.711037296309362e-05 0.00028865308203067375 2.711037296309362e-05 -0.006986029210977755" free_energy=-2018.056504060183 pbc="F F F" Ni 0.02644067 0.02861416 0.00285619 0.50071914 0.34122905 0.45421622 Ni 1.76624662 1.71829398 0.03057249 -0.14385671 0.24945135 -0.41306131 Ni 1.76286021 0.01023273 1.77929024 -0.16927716 -0.34657591 -0.13265098 Ni 0.00306166 1.72905958 1.71772949 -0.16140829 0.04767035 0.28692353 Ni 3.46617533 0.00189841 0.00147706 0.13216035 0.11065910 0.24040438 Ni 5.24041398 1.73144735 0.02502103 -0.00689463 0.00839475 -0.40893703 Ni 5.21571312 0.02010441 1.76594268 0.24659991 -0.35675585 -0.18750417 Ni 3.51154732 1.74376382 1.74801452 -0.14736272 0.26000806 0.19268905 Ni 7.01888484 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0.01417751 -0.41427777 -0.19809108 -0.30926257 Ni 15.73663957 5.21669205 0.00523391 -0.18458133 0.29092877 0.21793690 Ni 15.71523901 3.53038458 1.74680028 0.33153314 -0.27200834 0.29793210 Ni 13.96827991 5.24216783 1.75517499 0.17573171 0.19798815 -0.13496602 Ni 0.01210362 6.94372713 0.01114687 0.27351330 0.09954579 0.18664278 Ni 1.77620709 8.73038423 0.03254772 -0.40766985 0.13593411 -0.48677542 Ni 1.73627548 6.99273810 1.75372771 0.23959880 -0.16995665 0.14722629 Ni 0.01767131 8.71409771 1.73914823 -0.24331111 0.26938746 0.08444228 Ni 3.47649694 7.00675160 0.00506172 0.12942330 -0.22307964 -0.22533819 Ni 5.25022555 8.71754507 0.00296921 -0.18556378 0.35314024 -0.30441792 Ni 5.28365742 6.98479543 1.72368290 -0.65740288 0.23235084 0.38363554 Ni 3.48570010 8.73448348 1.72847956 0.33395522 0.20460234 0.56259596 Ni 7.02450879 7.02344297 0.03464232 -0.10063650 -0.34166201 -0.75175445 Ni 8.73761041 8.72431945 0.02137222 0.25490852 0.29616179 -0.27589990 Ni 8.73170726 7.01859609 1.74044191 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0.15401505 -0.45888680 -0.51947174 Ni 5.22430627 12.22504616 0.01786577 0.38113589 0.15250492 -0.34292100 Ni 5.21936942 10.50259236 1.75894519 0.38451611 -0.28772864 0.14647603 Ni 3.51937396 12.21458693 1.71765378 -0.37828495 0.66739961 0.58824822 Ni 7.01249094 10.47296881 0.03452437 -0.13733518 0.28324213 -0.26276435 Ni 8.77119886 12.28043359 0.01372184 -0.24768611 -0.22126095 -0.32358325 Ni 8.75667328 10.50965423 1.73819296 -0.20421580 -0.29533367 0.42801273 Ni 7.01975914 12.26403937 1.77587830 -0.36794028 -0.16812788 -0.16371155 Ni 10.47339574 10.49483019 0.01971766 0.26241230 0.07460190 -0.34358224 Ni 12.28088493 12.27825164 0.01863676 -0.33676075 -0.52188094 -0.32976614 Ni 12.23424841 10.46464423 1.73054203 0.37058446 0.57110435 0.08061257 Ni 10.47728706 12.26789796 1.76792929 0.18561321 -0.17601755 -0.06054215 Ni 14.02981909 10.48475433 0.02862348 -0.29521740 0.16360872 -0.44232103 Ni 15.74745916 12.24182719 0.01372765 -0.21648150 0.08001753 0.08928303 Ni 15.74722411 10.52099000 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15.78011819 0.36675849 0.33078887 0.00870221 Ni 7.02664907 10.47232585 14.02292803 -0.22027137 0.73876625 -0.53708037 Ni 8.76525391 12.27311878 14.02289672 -0.22191146 -0.41563563 -0.47039768 Ni 8.77356154 10.47526676 15.71898379 -0.29874167 0.20024142 0.36238539 Ni 6.97202499 12.27012205 15.75864237 0.22800671 -0.20323104 0.07352657 Ni 10.50847183 10.46785601 13.99519647 -0.17261073 0.33272380 -0.62008883 Ni 12.26761417 12.27284529 13.97910856 -0.40275811 -0.39702100 -0.00086611 Ni 12.23631212 10.52669334 15.75450426 0.05172604 -0.34202752 0.19721267 Ni 10.48657698 12.22046112 15.72667868 0.31500387 0.23106378 0.32215137 Ni 13.98721073 10.47510029 14.01451831 0.09181263 0.41395345 -0.38958376 Ni 15.76325614 12.27830557 13.97733853 -0.05790704 -0.19714359 0.18012435 Ni 15.73337910 10.54069540 15.75881068 -0.22271122 -0.02127669 -0.30472860 Ni 13.96503645 12.22784922 15.73010791 0.36224329 0.42619283 0.22889161 Ni 0.01318564 14.01111293 13.98384392 -0.24060271 0.24887604 0.27739880 Ni 1.75469253 15.76760871 13.98991602 -0.16911154 0.09793405 0.02138073 Ni 1.78019679 13.98430129 15.74192514 -0.33910636 0.31671156 0.32489762 Ni 0.02164995 15.73531972 15.73462294 0.60950011 -0.59385597 -0.56066045 Ni 3.48581870 14.01395073 14.02165343 0.18179736 -0.37840907 -0.24753840 Ni 5.24878182 15.73859411 14.02132076 0.16148318 0.22449664 -0.18645969 Ni 5.23641430 13.99791530 15.76474977 -0.03426663 0.04307298 0.17374759 Ni 3.50277226 15.75184099 15.70252857 -0.08745320 -0.06468450 0.06132045 Ni 7.02602351 14.01739544 13.99809295 -0.42920774 -0.22483906 0.26470017 Ni 8.72328841 15.76438963 13.97407153 0.28979821 0.17027911 0.39403002 Ni 8.77775318 13.97831003 15.75558148 -0.24310233 0.30832740 0.17710881 Ni 6.98888259 15.74900063 15.74082674 0.14063300 -0.35094147 -0.19329809 Ni 10.52476050 13.99929136 14.00793458 -0.13027817 0.22140480 -0.10378252 Ni 12.27466824 15.75273181 13.99111680 -0.23002629 0.15985805 0.14364390 Ni 12.24077316 14.03179781 15.77661069 0.05710043 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