500 Lattice="17.46584489340318 0.0 0.0 0.0 17.46584489340318 0.0 0.0 0.0 17.46584489340318" Properties=species:S:1:pos:R:3:forces:R:3 energy=-2040.7523196021752 stress="-0.006877895472729127 -7.193428942861682e-05 -0.00012394526346599095 -7.193428942861682e-05 -0.007057965915990018 0.00022805002353558186 -0.00012394526346599095 0.00022805002353558186 -0.006958043169458936" free_energy=-2040.7523196021752 pbc="F F F" Ni 0.00295679 0.00660962 0.02904208 0.69691681 0.63044571 0.58467180 Ni 1.75907798 1.76577446 0.02015301 -0.41132097 -0.33346223 -0.26931702 Ni 1.77341004 0.02951110 1.73429490 -0.19473050 -0.38926467 -0.02611966 Ni 0.01822847 1.68910108 1.77838750 -0.24032703 0.25341725 -0.30592685 Ni 3.49468693 0.00078114 0.00843364 -0.11273727 0.28759326 0.18336987 Ni 5.22322282 1.71602550 0.01312340 0.05851347 0.26053418 -0.26400309 Ni 5.21516312 0.02340460 1.72802227 0.00204275 -0.37820490 0.18668835 Ni 3.50036317 1.76800504 1.75749832 -0.04813961 -0.27320214 -0.09016616 Ni 6.93248129 0.00214442 0.02032766 0.24343900 0.32673584 0.25603174 Ni 8.71934889 1.76214822 0.01621624 0.08317002 -0.24097082 -0.22135020 Ni 8.71049862 0.00959505 1.72375327 0.18097343 -0.09907143 0.04167918 Ni 6.99843086 1.77416021 1.76754726 -0.19586086 -0.27338670 -0.43715155 Ni 10.51332537 0.00868703 0.03230033 -0.20173349 0.35443495 0.14865401 Ni 12.22455858 1.79069472 0.03285399 0.18443065 -0.33911929 -0.48344376 Ni 12.21601320 0.02945687 1.73361465 0.20951944 -0.33589264 0.04588368 Ni 10.48876002 1.77436466 1.72904428 -0.25800830 -0.33245041 0.26355497 Ni 13.98407815 0.03410504 0.00090086 -0.14382480 0.43898210 0.39153408 Ni 15.73203906 1.72567944 0.00616435 -0.50881072 0.14781368 0.41047864 Ni 15.69217998 0.01929678 1.72161395 -0.37502758 0.32327898 0.17850782 Ni 13.96405771 1.76582122 1.77723527 0.26331762 -0.39038371 -0.55331551 Ni 0.00724519 3.51934454 0.02758792 0.35517717 -0.16213556 0.41734117 Ni 1.74099793 5.27061444 0.00879139 0.08011346 -0.31771545 -0.01478817 Ni 1.73144381 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3.51116210 0.01850162 0.16701922 0.00273341 -0.29643183 Ni 15.71975860 5.27569687 0.01343540 -0.32705020 -0.16479749 0.38598842 Ni 15.69198250 3.46709240 1.74747133 0.28944989 0.31320570 -0.10860103 Ni 13.96043295 5.25248821 1.76442803 0.34753299 -0.26169472 -0.12819438 Ni 0.02763412 6.99642525 0.00830075 0.20153254 0.00320365 0.17734778 Ni 1.73659700 8.76558253 0.01840386 -0.07606541 -0.32768242 -0.32069358 Ni 1.73996646 7.00915341 1.77983370 0.33385375 -0.29466388 -0.37957948 Ni 0.00110404 8.70998438 1.73420356 -0.34259015 0.21535651 0.07703850 Ni 3.46903569 6.98874775 0.01434766 0.17069667 0.16076806 -0.08662293 Ni 5.25718014 8.74182693 0.03067306 -0.19216219 -0.12427100 -0.37716438 Ni 5.26394275 6.97738377 1.75332443 -0.14746205 0.12587227 -0.13012521 Ni 3.47224672 8.74773826 1.75132213 0.15248411 -0.13962488 0.07746610 Ni 7.01609656 6.99540762 0.01525356 -0.36880900 -0.07927972 -0.25460817 Ni 8.70906231 8.72025937 0.02382356 0.24900018 0.16764613 -0.50810520 Ni 8.76583977 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10.45390245 0.02901407 0.28227242 0.26321985 -0.28321020 Ni 5.21182699 12.23757722 0.01254501 0.20145096 -0.32814639 -0.11420898 Ni 5.24684349 10.44814801 1.77311102 -0.36573689 0.49132927 -0.20397128 Ni 3.47322102 12.21929171 1.77372291 0.24795104 -0.21017098 -0.15697595 Ni 6.98531389 10.52745683 0.02367236 -0.11559214 -0.18268493 -0.34439685 Ni 8.70097826 12.24420835 0.01367854 0.34941517 -0.18863522 -0.28425665 Ni 8.75739623 10.46818531 1.71277409 -0.21946879 0.21072800 0.64655373 Ni 6.99548848 12.22294921 1.77816588 -0.24687413 0.25501151 -0.26468403 Ni 10.44619164 10.45421988 0.02053377 0.36262034 0.23297081 -0.30803735 Ni 12.20737207 12.23227133 0.01713793 0.15614223 -0.14062228 -0.29392788 Ni 12.25994881 10.50574972 1.77516634 -0.25327784 -0.07785722 -0.31990250 Ni 10.50754656 12.25215385 1.73538244 -0.15980451 -0.43277500 0.37813641 Ni 13.99886307 10.49111871 0.00858841 -0.34941625 -0.18535249 -0.15769341 Ni 15.69430398 12.21631850 0.02906774 0.05314725 0.06979481 -0.05106803 Ni 15.73149243 10.44985313 1.72318729 0.04255186 0.13206382 0.24003733 Ni 14.00510602 12.25395842 1.72562472 -0.35359986 -0.36213565 0.40198585 Ni 0.03482060 13.99179935 0.01057048 0.40832612 -0.04896861 0.54858254 Ni 1.75956112 15.72345270 0.00011584 -0.07960176 -0.42389971 0.38482516 Ni 1.77726091 13.98745837 1.73269578 -0.63406519 0.02658761 -0.22323317 Ni 0.01505427 15.74339152 1.76386712 0.51497451 -0.56072913 -0.11547502 Ni 3.51982028 13.95539477 0.02903779 -0.24822899 0.43634595 -0.40319988 Ni 5.27032690 15.73478467 0.01820248 -0.08115289 -0.46233524 0.42891103 Ni 5.21678299 13.94529325 1.72875457 0.40906991 0.51177228 0.42077923 Ni 3.45982402 15.74059817 1.74632632 0.28004463 0.21890999 -0.22701134 Ni 7.01273855 13.96339713 0.01798693 -0.36356255 0.18253163 -0.13640642 Ni 8.71017141 15.71411770 0.02283713 0.08945173 -0.25906361 0.24095179 Ni 8.75041796 13.94877849 1.75068680 -0.19816549 0.42452987 0.26522947 Ni 7.00345605 15.71675860 1.76023744 -0.19679264 -0.03377861 0.07751409 Ni 10.44944603 13.95940525 0.02321788 0.23723280 0.28190326 -0.51639242 Ni 12.25782923 15.73153429 0.01632011 -0.20318924 -0.29286653 0.03865615 Ni 12.23964643 14.00627828 1.73270689 -0.12361607 -0.43058196 0.12559764 Ni 10.49772320 15.68527355 1.72125467 -0.22465886 0.33550627 0.22789652 Ni 13.95825022 13.96246104 0.02439466 0.23142442 0.24299588 -0.48861915 Ni 15.69700856 15.69940330 0.02261684 -0.57348248 -0.57798201 0.51891471 Ni 15.72142888 13.95396279 1.72538936 0.23602342 0.42127493 0.15191255 Ni 13.95611825 15.73252401 1.71404434 0.54722386 0.18979830 0.14426356 Ni 0.02469757 0.01396574 3.52846010 0.19539928 0.08656163 -0.10440787 Ni 1.77015277 1.71166649 3.52166850 -0.40838071 0.41893402 -0.20366426 Ni 1.76442901 0.01779669 5.22436968 -0.34280453 -0.52570871 0.44587293 Ni 0.00524714 1.73536024 5.27129328 -0.20606608 0.04887464 -0.14897617 Ni 3.47509933 0.02319317 3.51492468 0.31160570 -0.38679895 -0.29421820 Ni 5.25185269 1.74499424 3.46036380 -0.32402708 0.12899063 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Ni 12.19579395 3.51593435 5.26725962 0.25673795 -0.13109788 -0.41844098 Ni 10.46271072 5.23887738 5.21912069 0.15644530 -0.07068146 0.19504857 Ni 13.98527505 3.46389955 3.52764414 -0.29008674 0.46182256 -0.15145492 Ni 15.73929939 5.24048809 3.51121852 0.18385177 -0.10052255 -0.41879776 Ni 15.70291248 3.51313451 5.25730702 0.56720778 -0.07934000 -0.18309335 Ni 14.00340481 5.24351981 5.21840172 -0.62542881 -0.10051903 0.18051910 Ni 0.02554635 6.96073275 3.48450895 -0.56290123 0.36853188 0.16942048 Ni 1.72631419 8.71699117 3.47722770 0.28370526 0.24381680 0.35401489 Ni 1.72923139 6.95468743 5.25634201 0.48533434 0.47832240 -0.21937714 Ni 0.00545246 8.76722040 5.21439853 -0.19496068 -0.38475331 0.13584206 Ni 3.52788920 7.00875468 3.48572011 -0.52095820 -0.42572278 0.04366831 Ni 5.23485471 8.71058589 3.47774538 0.27264667 0.35683547 0.26339485 Ni 5.21012274 6.97937213 5.23710369 0.53578207 -0.09938001 0.16836919 Ni 3.50479580 8.70996650 5.23784494 -0.26620913 0.27064337 -0.32519533 Ni 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15.69732695 13.95400681 -0.22997882 0.29978861 0.58875231 Ni 1.76970158 13.93888900 15.74843309 -0.53379062 0.12483430 -0.15551936 Ni 0.02541904 15.68474171 15.73405101 0.72668271 -0.70110953 -0.71106366 Ni 3.52599061 13.99001550 14.00688680 -0.44964388 -0.39188468 -0.47029849 Ni 5.27005076 15.72992654 13.96478418 -0.40507075 0.22980015 0.23406265 Ni 5.25644500 13.96400968 15.69384281 -0.02782708 0.30273614 0.52698086 Ni 3.47104944 15.65807126 15.68691286 0.12447058 0.12389385 0.00922434 Ni 6.97462763 13.98206732 13.99874878 0.37874570 0.03630423 -0.21412112 Ni 8.75694857 15.72309893 14.00700488 -0.24263774 0.21941703 -0.09089000 Ni 8.71255367 13.98861199 15.70542267 0.31744573 -0.02797001 0.26839436 Ni 6.96655516 15.72916092 15.74199400 0.07778367 -0.31684883 -0.37545768 Ni 10.45648470 14.00594373 13.93802522 0.32093650 -0.43505436 0.73468563 Ni 12.20247706 15.74143749 13.95133969 0.46843703 -0.10101528 0.33741563 Ni 12.20382325 13.95381362 15.74821805 0.24810587 0.26659019 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