500 Lattice="18.100918092111897 0.0 0.0 0.0 18.100918092111897 0.0 0.0 0.0 18.100918092111897" Properties=species:S:1:pos:R:3:forces:R:3 energy=-1486.8199052555608 stress="-0.004857686833666008 -0.0007294654135210436 -0.00016137250520583752 -0.0007294654135210436 -0.005022531588135987 0.00013198877905250443 -0.00016137250520583752 0.00013198877905250443 -0.004832711669312938" free_energy=-1486.8199052555608 pbc="F F F" Ni 0.01724049 0.02737948 0.02124883 -0.46420541 -0.35757690 -0.38812394 Ni 1.78441617 1.84590613 0.01858277 0.77566609 0.28589064 -0.97664104 Ni 1.80252292 0.02302900 1.80639433 0.41431172 -1.03741342 0.71506604 Ni 0.02137151 1.84535338 1.83337195 -1.06465236 0.34078990 0.45057066 Ni 3.60241011 0.01326375 0.01281817 -0.00490202 -0.62535642 -0.73639304 Ni 5.42573299 1.79774556 0.03613036 -0.12669757 0.70955203 -0.78711432 Ni 5.39456395 0.00876298 1.84033256 0.28867783 -1.04687296 0.14411971 Ni 3.58819768 1.77390290 1.79985439 0.35684176 1.58567642 0.95659005 Ni 7.27081359 0.00849932 0.02116953 -0.23963519 -0.65764600 -0.50953379 Ni 9.01988350 1.84138519 0.02059699 0.39407102 0.52888529 -0.65656761 Ni 9.06631686 0.00547979 1.82196071 -0.16694348 -0.64991573 0.58062476 Ni 7.20573385 1.80140812 1.79966154 0.43893883 0.76638863 0.84062609 Ni 10.87844479 0.02867892 0.01921066 -0.07732560 -0.43747466 -0.48300169 Ni 12.69232446 1.81712245 0.02526610 -0.12522767 0.66315187 -0.64047351 Ni 12.69276831 0.01759019 1.83906713 -0.17882156 -0.76872120 0.29890239 Ni 10.83402960 1.83662339 1.82762985 0.15853437 0.55545905 0.36869248 Ni 14.50711194 0.02649919 0.02613260 -0.73472631 -0.89240707 -0.69337863 Ni 16.26734751 1.78116743 0.00185695 0.71284193 0.77335423 -0.73352926 Ni 16.30293024 0.01087317 1.81032520 0.58471300 -0.66630885 0.67520025 Ni 14.47857667 1.81550265 1.83618633 -0.64894892 0.89074629 0.74019856 Ni 0.02972402 3.61420908 0.02051487 -0.87144085 0.09331552 -0.74339433 Ni 1.80863604 5.40931170 0.01783140 0.63639560 0.22713472 -1.03686557 Ni 1.81958036 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0.02798043 -0.59548055 -0.33045855 -0.81338317 Ni 16.29810490 5.44145311 0.01101049 0.72159434 -0.14022470 -0.79520611 Ni 16.32596086 3.58771925 1.79444113 0.70525296 0.21783691 0.61432903 Ni 14.51108241 5.41058198 1.77669009 -1.13879367 0.16219135 1.24279402 Ni 0.01059653 7.27771077 0.00131553 -0.41917517 -0.25532956 -0.67479962 Ni 1.80730247 9.08624563 0.03082256 0.88583817 -0.04042165 -0.81963480 Ni 1.83975416 7.21838222 1.80137561 0.53255889 0.31090664 0.99780464 Ni 0.00231085 9.02006149 1.79669627 -0.51957643 0.43078996 0.98391226 Ni 3.57846983 7.23641987 0.00762918 0.35467574 -0.25883316 -0.83873307 Ni 5.40595086 9.06364078 0.01982188 0.21087117 -0.15589673 -0.79693849 Ni 5.39529946 7.24045680 1.77930376 0.33165432 -0.42245491 0.93752117 Ni 3.63954499 9.03019224 1.77723053 -0.37600093 0.75294598 1.20045336 Ni 7.24200945 7.25902842 0.01272902 0.13515676 -0.13545321 -0.66264424 Ni 9.09585150 9.06350671 0.00753590 -0.34247080 -0.21655076 -0.70417893 Ni 9.06962682 7.27388118 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0.00717685 -0.45386578 -0.08581019 -0.40867048 Ni 5.42310069 12.68621160 0.02257271 0.26413361 -0.07009725 -0.65308995 Ni 5.46109407 10.88402546 1.81378737 -0.24466493 -0.12657680 1.09889583 Ni 3.60742731 12.70393864 1.84248229 0.27141419 -0.53811775 0.48069205 Ni 7.24662002 10.82833211 0.00646464 -0.07179883 0.20661588 -0.47067846 Ni 9.01240461 12.64460503 0.00078755 0.00407615 0.12024087 -0.33203809 Ni 9.05219619 10.81452860 1.83919039 -0.28656237 0.52026765 0.45703949 Ni 7.20430362 12.69277655 1.84548761 0.41369762 -0.07714618 0.37472077 Ni 10.82578052 10.86949579 0.01861998 0.67419811 0.09764518 -0.34679448 Ni 12.69384720 12.68724673 0.00149377 -0.34659543 -0.31521224 -0.40424157 Ni 12.70532430 10.84282695 1.82818683 -0.88796568 0.38574599 0.42478633 Ni 10.82719136 12.68166424 1.84066463 0.19333675 -0.28358050 0.31594612 Ni 14.44813313 10.80582544 0.00648814 -0.21733020 0.42302533 -0.90420326 Ni 16.29002832 12.69671731 0.01642743 0.35782728 -0.21483815 -0.58247542 Ni 16.26250907 10.82932857 1.77499401 0.80149595 0.42522082 0.95021334 Ni 14.46503757 12.69904629 1.77998244 -0.50441268 -0.34489946 1.10612818 Ni 0.02258382 14.45113384 0.02345637 -0.98517683 -0.43462622 -0.80558106 Ni 1.78785900 16.27380575 0.01251666 0.67165506 0.75676962 -0.67914849 Ni 1.77538173 14.47243849 1.77399000 1.19329630 -0.57784957 1.33763703 Ni 0.00169439 16.29086554 1.81459520 -0.83922907 0.59146290 0.42854337 Ni 3.61982044 14.47657684 0.01563312 -0.36503391 -0.59612983 -0.92403238 Ni 5.40414172 16.26509139 0.03015109 0.19236072 0.90110187 -0.83453922 Ni 5.36571115 14.50856593 1.78509819 0.68141626 -1.14028833 1.25151032 Ni 3.64235022 16.31507462 1.82175531 -0.63876074 0.71343808 0.52776961 Ni 7.21787456 14.49686731 0.02325809 0.30867155 -0.53608369 -0.63658304 Ni 9.08601085 16.32518535 0.00155089 -0.20444292 0.34032827 -0.37044155 Ni 9.08202158 14.47943507 1.78295423 -0.46444823 -0.85459586 0.94774927 Ni 7.22664864 16.27853600 1.84955335 0.19432709 0.80055848 -0.01573776 Ni 10.87782222 14.46086010 0.00315652 -0.33835145 -0.77327388 -0.89976997 Ni 12.60304533 16.28520567 0.00845530 0.35706892 0.67972885 -0.66661020 Ni 12.62728580 14.50507244 1.82558739 0.51303880 -1.15438591 0.50861156 Ni 10.87587577 16.25710742 1.81264751 -0.30613505 1.15247651 0.48023445 Ni 14.47137415 14.51674569 0.03028338 -0.71265432 -0.52111140 -0.89838732 Ni 16.26658406 16.28471490 0.02182303 0.46284613 0.54012161 -0.46795129 Ni 16.29964201 14.51024687 1.80741437 0.74537138 -0.87339126 0.76356953 Ni 14.45977806 16.31762524 1.82220659 -0.55383348 0.71358355 0.48095204 Ni 0.00270581 0.01882514 3.63606638 -0.65777120 -0.56998843 -0.19312981 Ni 1.79111518 1.83561436 3.60616895 1.06913275 0.78733110 0.27242214 Ni 1.78058574 0.00681500 5.41317319 1.00599289 -0.96299979 0.13734225 Ni 0.02780746 1.79123395 5.45793608 -0.89095271 0.98668960 -0.21176498 Ni 3.61793786 0.01959592 3.60971187 -0.14146290 -0.74808714 0.26800021 Ni 5.45476596 1.79352126 3.58642442 -0.38327574 1.22774219 0.64528065 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3.64743499 5.40314597 0.70584408 -0.17873805 0.48106291 Ni 10.89151218 5.46113778 5.42794638 -0.14003315 -0.23869925 -0.46025571 Ni 14.50332308 3.65725881 3.59644966 -0.77397585 -0.42018721 0.44041939 Ni 16.32033695 5.45296778 3.59641500 0.43108783 -0.23770863 0.05074567 Ni 16.31027476 3.63998511 5.41232176 0.30490434 -0.21287621 0.18643889 Ni 14.49342533 5.44798797 5.45427873 -1.01349536 -0.12875223 -0.31730828 Ni 0.02809990 7.25420111 3.58447574 -0.44704453 -0.37855704 0.33910879 Ni 1.84336057 9.07028608 3.65362673 0.78707820 -0.27005261 -0.77378063 Ni 1.83494703 7.20479016 5.40704266 0.78240371 0.28473703 0.31005664 Ni 0.03420686 9.05089751 5.40075689 -0.66549556 -0.17637110 0.30090200 Ni 3.64856651 7.27262202 3.59125785 -0.12482865 -0.25450100 0.52769691 Ni 5.41912436 9.04300812 3.60327247 0.28426360 0.43632709 0.46609889 Ni 5.45961158 7.21824556 5.44780496 -0.49183977 0.44832560 -0.42780088 Ni 3.61830520 9.08001432 5.46772623 0.17268314 -0.77174141 -0.36874717 Ni 7.20881292 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5.39629025 7.21905236 9.02270234 0.58834150 0.43184631 0.48901462 Ni 3.59137157 9.02793869 9.02732364 0.45210462 0.42641840 0.28855521 Ni 7.22528739 7.22281237 7.22778235 0.21977791 -0.10378506 0.51580705 Ni 9.04334927 9.03780838 7.25335950 0.17491152 -0.14066798 -0.27838708 Ni 9.04533593 7.20700151 9.03526844 -0.05018354 0.31271047 -0.21424393 Ni 7.25297271 9.06582776 9.01720639 -0.15579703 -0.33957900 0.48348464 Ni 10.85559846 7.22567423 7.26222290 0.08559585 0.33597491 -0.11551421 Ni 12.62941263 9.05612945 7.25087736 0.05276299 -0.22557506 -0.17100513 Ni 12.67932699 7.22108914 9.05042538 -0.49844575 0.42376728 0.16694093 Ni 10.83497620 9.07914371 9.03616684 0.31704357 -0.53139294 0.53599296 Ni 14.46214700 7.21528093 7.26840517 -0.60644727 0.38269278 -0.44546507 Ni 16.28953681 9.01519138 7.23348928 0.49207193 0.05714985 0.19091671 Ni 16.30514589 7.20464123 9.05054324 0.63526422 0.45847671 -0.04017584 Ni 14.46050736 9.05367775 9.00846624 -0.29484208 -0.28316953 0.37664315 Ni 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0.44543980 1.33356142 -0.32299431 Ni 14.48230761 0.00080955 10.81767791 -0.82495205 -0.68872817 0.23033619 Ni 16.26343184 1.78881295 10.88465770 0.86762423 0.85766277 -0.17686197 Ni 16.27369457 0.01360058 12.62921491 0.50290770 -0.72938524 0.18911225 Ni 14.46661663 1.83434741 12.69074202 -0.84147271 0.57332106 -0.20976621 Ni 0.00745577 3.64238304 10.88063284 -0.45349999 -0.47455343 -0.19889513 Ni 1.78582134 5.45612313 10.88161764 1.51508720 -0.36746519 -0.35439328 Ni 1.79602471 3.63631325 12.69893630 1.05805080 -0.11547775 -0.46742284 Ni 0.01680588 5.44233540 12.65125402 -0.87733184 0.02227461 0.35677734 Ni 3.59652224 3.63271623 10.88912925 0.28623512 0.33105752 -0.10473337 Ni 5.45200042 5.46532352 10.85366530 -0.48388450 -0.28047535 0.34677329 Ni 5.43927832 3.59968555 12.70411746 -0.27656889 0.45131314 -0.54284762 Ni 3.61859504 5.47547401 12.70469124 0.18522310 -0.58415360 -0.68243331 Ni 7.22992256 3.65071156 10.84095270 0.17199739 -0.19058375 0.18987499 Ni 9.06994626 5.45906571 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9.07533024 12.65243456 -0.55564485 -0.25954019 0.04678887 Ni 3.60216269 7.26642177 10.88611960 0.30427937 -0.08987675 -0.32708515 Ni 5.43623295 9.04281499 10.86721614 0.10989680 -0.42592021 -0.36069605 Ni 5.44669042 7.22487811 12.69582146 0.25276253 0.34926243 -0.49852750 Ni 3.63480933 9.07668829 12.67829045 -0.45490793 -0.12326244 -0.17601517 Ni 7.27339438 7.22769225 10.81854122 -0.37655354 0.28442535 0.41267470 Ni 9.06220544 9.04493645 10.89589007 -0.39112446 -0.06289141 -0.70542364 Ni 9.06796350 7.23464794 12.67540531 -0.17531261 0.23297751 -0.04800317 Ni 7.24701558 9.06545304 12.67066604 -0.13950891 -0.55139438 0.01813997 Ni 10.85301056 7.23803975 10.81797640 0.18048554 0.24074277 -0.06250803 Ni 12.69896726 9.06590061 10.88601665 -0.37762195 -0.45666690 -0.37924482 Ni 12.63339388 7.20592749 12.62526993 0.40180846 0.59424139 0.36746425 Ni 10.84419754 9.06963340 12.64983928 0.38366123 -0.31097478 0.39642739 Ni 14.50087038 7.21011578 10.82667248 -1.01294065 0.28780567 0.43791484 Ni 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