500 Lattice="17.50293253569257 0.0 0.0 0.0 17.50293253569257 0.0 0.0 0.0 17.50293253569257" Properties=species:S:1:pos:R:3:forces:R:3 energy=-2053.2287996881296 stress="-0.007090218852320397 -0.00039014630720011123 0.0005077523686488111 -0.00039014630720011123 -0.006856500863729205 0.00045265782987288815 0.0005077523686488111 0.00045265782987288815 -0.0070215090771884574" free_energy=-2053.2287996881296 pbc="F F F" Ni 0.01786734 0.02850109 0.00083912 0.32704526 0.27620320 0.26424758 Ni 1.79980349 1.72806391 0.00279985 -0.36328002 0.32807484 -0.29282816 Ni 1.73789873 0.00139126 1.75946311 0.26006339 -0.37145925 0.11991842 Ni 0.01977695 1.74131411 1.73326242 -0.26613345 0.26347994 0.21961418 Ni 3.53479359 0.02263289 0.01593106 -0.24428489 -0.20511668 -0.12148439 Ni 5.26374466 1.74523216 0.03011662 -0.11306708 0.39113933 -0.50246771 Ni 5.22668963 0.01953162 1.73670631 0.29443966 -0.40300414 0.46963882 Ni 3.47270137 1.72602166 1.73149685 0.33087140 0.47509489 0.55714478 Ni 7.01614429 0.01690190 0.01349994 -0.17348233 -0.17011995 -0.09936732 Ni 8.72532819 1.75252167 0.03123048 0.25513799 0.29175156 -0.44787067 Ni 8.72098782 0.00268258 1.76159767 0.36255905 -0.31756747 0.14656589 Ni 6.99903436 1.71706608 1.71697997 -0.07825624 0.72436827 0.73872949 Ni 10.53488586 0.00136210 0.03372216 -0.32826573 0.03283691 -0.02352079 Ni 12.23452044 1.76346535 0.00472707 -0.00390752 0.28102663 -0.44344043 Ni 12.27414126 0.00733010 1.73299383 -0.10784453 -0.30413856 0.37750690 Ni 10.49704557 1.75557370 1.71656849 -0.12663550 0.18425178 0.43242583 Ni 13.98826797 0.04982944 0.03415179 -0.17346971 -0.21895364 -0.20841807 Ni 15.71977911 1.75140241 0.02137770 0.16359019 0.18696085 -0.01372169 Ni 15.73885743 0.01539936 1.77423543 -0.20124634 0.15051374 0.28814433 Ni 13.96930576 1.75349996 1.72070722 0.18111952 0.11969680 0.68752369 Ni 0.03405576 3.53084929 0.02978312 0.14215108 -0.29969342 -0.05853881 Ni 1.78544708 5.25769438 0.03008074 -0.10857502 -0.09607620 -0.42667559 Ni 1.77433878 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3.47628348 0.01318361 -0.19302186 0.47337278 -0.27732093 Ni 15.78318308 5.29511794 0.02707153 -0.31983044 -0.20979679 0.17585833 Ni 15.75982899 3.47297414 1.75006816 0.20713749 0.32185436 -0.03079043 Ni 14.02554301 5.25764503 1.77740410 -0.32316144 -0.02561521 -0.23674626 Ni 0.00977956 6.99231673 0.00255607 0.21443182 0.06368725 0.26431506 Ni 1.73532436 8.77474589 0.00191370 0.35280381 -0.13287584 -0.08766437 Ni 1.78938361 6.97885166 1.74469254 -0.14605222 0.39456940 0.23615924 Ni 0.03496000 8.78282850 1.76910276 -0.34268740 -0.23438716 -0.09941747 Ni 3.46783327 7.00128180 0.00691243 0.36837184 0.17846109 -0.25317857 Ni 5.24700603 8.75324832 0.01790516 -0.07728091 -0.14338333 -0.23686158 Ni 5.24580211 6.99321752 1.78521642 0.06868205 0.02323532 -0.32057048 Ni 3.50603649 8.76922520 1.77195112 -0.19476339 -0.25075553 -0.25249426 Ni 7.02493420 6.98055944 0.01867797 -0.38609697 0.17324679 -0.34841646 Ni 8.72179441 8.73290687 0.02251157 0.30557357 0.19718538 -0.48160388 Ni 8.72977269 7.01829589 1.73505907 0.21468976 -0.18379834 0.18996151 Ni 6.99886713 8.78492569 1.75564346 -0.08353827 -0.30684768 0.14956587 Ni 10.53673709 7.02315051 0.02277368 -0.34064265 -0.32492660 -0.35465958 Ni 12.22596473 8.74709186 0.00026261 0.24279199 0.00547371 -0.26640231 Ni 12.24380379 7.03288433 1.78523059 0.16409975 -0.40008003 -0.06752541 Ni 10.47624053 8.73305736 1.74916045 0.25018677 0.29974990 0.16911540 Ni 13.96970990 6.99838319 0.00131852 0.23230197 0.16363598 -0.09783137 Ni 15.78410331 8.76557431 0.00270609 -0.27861462 -0.11076942 0.08587059 Ni 15.76954450 7.03161073 1.76616094 0.18077863 -0.16773705 0.02515552 Ni 14.01743879 8.75570517 1.72408104 -0.20542035 -0.08105401 0.45145040 Ni 0.04842298 10.53305425 0.03996377 -0.12051932 -0.07524677 -0.18324362 Ni 1.76907426 12.28480308 0.01434610 0.19629492 -0.05487715 -0.40936832 Ni 1.76284684 10.54876903 1.77342826 0.13601174 -0.31762195 -0.15525577 Ni 0.01282632 12.24843347 1.73526229 -0.29170001 0.17871778 0.54460424 Ni 3.47935492 10.52621708 0.00136642 0.10160530 -0.19617470 -0.33405390 Ni 5.29394759 12.22802198 0.00979848 -0.23986124 0.25745611 -0.34746621 Ni 5.22567683 10.53283846 1.73990491 0.29079959 -0.37668588 0.14793204 Ni 3.51803857 12.25402862 1.73037864 -0.14400117 0.42243307 0.33946915 Ni 7.00131648 10.47342654 0.00340121 0.16347838 0.27591399 -0.22164473 Ni 8.75947741 12.27057068 0.02874796 -0.14151398 -0.46694976 -0.47022329 Ni 8.77650433 10.48851813 1.77469053 -0.21117624 0.01637982 -0.18255384 Ni 7.03398128 12.25302751 1.75791832 -0.31062141 -0.12136392 0.22462926 Ni 10.51795091 10.48871288 0.01209409 -0.31821850 0.05952538 -0.30076800 Ni 12.26709883 12.21150608 0.01505284 -0.12451630 0.35971514 -0.32461153 Ni 12.25157145 10.48368148 1.74304954 -0.15829028 0.06026221 0.45994595 Ni 10.48811969 12.27708719 1.73695641 0.26456296 -0.31599629 0.38493667 Ni 13.96903665 10.48181775 0.02667712 0.14366151 0.06018856 -0.48227511 Ni 15.74298106 12.23471818 0.02528239 -0.20504362 0.18247569 -0.09597344 Ni 15.74221666 10.51997073 1.72459143 0.36529257 -0.28579406 0.45109853 Ni 14.00670922 12.24190324 1.77654446 -0.33003626 0.27192306 -0.22622456 Ni 0.02917009 13.99484450 0.04064710 -0.19132235 -0.19544702 -0.22960035 Ni 1.72212644 15.77041863 0.05142266 0.54432724 -0.04968676 -0.12680619 Ni 1.73053389 14.02915544 1.71662846 0.74429173 -0.40342949 0.71057007 Ni 0.02971734 15.70837565 1.78226911 -0.24424205 0.22996620 0.33350002 Ni 3.53011254 14.01221907 0.00515580 -0.15527571 -0.16903157 -0.24189964 Ni 5.22106442 15.77783086 0.03337317 0.29184773 -0.13729087 -0.12908837 Ni 5.27607332 14.02206518 1.75146106 -0.18999178 -0.45095153 0.18656068 Ni 3.52428418 15.76516565 1.74463102 -0.28772896 0.17486072 0.42575755 Ni 7.01214511 13.97585509 0.00195993 -0.09777767 0.24893872 -0.31501307 Ni 8.78431667 15.76548164 0.02417155 -0.18801818 -0.19233134 0.05149340 Ni 8.72753126 13.99984763 1.75266794 0.27939194 0.20310529 0.32427312 Ni 6.98437837 15.74961888 1.73298249 0.22446480 0.32327301 0.22556346 Ni 10.47360611 13.96359040 0.00642144 0.26113502 0.14997074 -0.36141751 Ni 12.22343586 15.73325646 0.01515315 0.13521907 -0.01075348 -0.06586457 Ni 12.22803657 14.00450303 1.73110670 0.09774362 -0.30719026 0.39526585 Ni 10.52107900 15.76420364 1.73665594 -0.34878876 0.06276894 0.46241918 Ni 13.97056038 14.00355160 0.01445104 0.03105697 -0.36339187 -0.23220126 Ni 15.72050862 15.73232961 0.00824017 -0.28730730 -0.27435062 0.22634054 Ni 15.77187558 14.00811391 1.72830713 0.02381826 -0.26285212 0.51207318 Ni 14.00706551 15.73634196 1.74844158 -0.13954575 0.21982820 0.21997600 Ni 0.00958843 0.00618543 3.52921157 -0.00284529 0.01100688 -0.31650654 Ni 1.73994196 1.75861386 3.47764894 0.28341591 0.04008642 0.23468452 Ni 1.74219485 0.03470577 5.23799437 0.24314384 -0.40311282 0.20898760 Ni 0.00456024 1.73610691 5.21922445 -0.19007483 0.51221665 0.36214958 Ni 3.51356701 0.01223040 3.49542875 -0.28386868 -0.32746728 -0.03622464 Ni 5.22810156 1.76161998 3.52093374 0.21620001 0.32319407 -0.34303816 Ni 5.23591210 0.02304924 5.21652123 0.33811076 -0.44786372 0.24982140 Ni 3.47974149 1.72528999 5.27529053 0.18161680 0.59075986 -0.39116398 Ni 6.99820203 0.01914137 3.49901494 -0.13994100 -0.27948696 -0.08531012 Ni 8.78037394 1.73942273 3.51719053 -0.27898965 0.39864552 -0.47277318 Ni 8.76707570 0.03357942 5.20537763 -0.04168602 -0.60345093 0.31964879 Ni 7.01275267 1.73846579 5.26589886 -0.08071498 0.16720073 -0.22233798 Ni 10.53169400 0.01767476 3.45718595 -0.16758525 -0.45658843 0.14572337 Ni 12.22209357 1.73880990 3.50617580 0.28266533 0.45175363 -0.15832219 Ni 12.27180121 0.03134203 5.24321922 -0.39665707 -0.52431891 0.23794047 Ni 10.49421383 1.76941829 5.23459723 0.11581424 -0.08659000 0.04794988 Ni 13.96940999 0.02382229 3.52034852 0.33577647 -0.16817744 -0.17746523 Ni 15.77756422 1.80589976 3.46638602 -0.09491006 -0.39531509 0.38247307 Ni 15.77905834 0.02301951 5.28252946 -0.24322493 0.26279716 -0.29016806 Ni 13.97711835 1.72262592 5.28391692 0.25039385 0.60838313 -0.52136736 Ni 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12.23007320 3.48136522 5.27889954 0.35336048 0.12507553 -0.51063896 Ni 10.50673339 5.24421073 5.26789431 -0.14360284 -0.00911494 -0.24497057 Ni 13.99230542 3.49281819 3.46997557 -0.20035739 -0.13724871 0.52771264 Ni 15.72894996 5.22075891 3.49770388 0.46271743 0.19638746 0.09240556 Ni 15.76483386 3.48333101 5.25652984 0.16339536 0.10159046 -0.25523481 Ni 14.00920749 5.22510423 5.27543260 -0.19130001 0.37434250 -0.39382548 Ni 0.02176529 7.01994341 3.47222956 -0.37214790 -0.17489870 -0.05584605 Ni 1.74851587 8.77423707 3.48383497 0.38555639 -0.44017603 0.19942570 Ni 1.72520897 6.99372192 5.24546728 0.37641588 0.19973212 0.14079764 Ni 0.00098375 8.72398890 5.21822993 -0.23466631 0.21935536 0.38607861 Ni 3.53190505 6.97817491 3.54030331 -0.47294334 0.19898917 -0.38023894 Ni 5.23827148 8.73548901 3.47081041 0.09559505 0.31339373 0.33917691 Ni 5.27066539 7.00763181 5.22822386 -0.01783226 -0.13136066 0.38443042 Ni 3.51133661 8.74114794 5.27967933 -0.33372321 0.12785520 -0.37240756 Ni 7.02038909 7.01165561 3.48177054 -0.12264081 -0.08157393 0.18137949 Ni 8.78054497 8.72260873 3.51363192 -0.33865948 0.35787590 0.07553121 Ni 8.73792387 6.96668560 5.27350947 0.11376000 0.44384525 -0.24277333 Ni 6.99119729 8.78274066 5.23503795 0.13680916 -0.52951864 0.10101770 Ni 10.46744036 7.01042843 3.48114845 0.25299955 -0.17827287 0.31946269 Ni 12.23221189 8.72365217 3.51379322 0.31993376 0.28516546 -0.20165978 Ni 12.21181513 6.97862242 5.22945165 0.36823337 0.12160010 0.31645648 Ni 10.52709602 8.78576370 5.27635444 -0.36941731 -0.57578305 -0.20274681 Ni 14.02586550 7.00488901 3.48545254 -0.38207833 -0.11682871 0.26302964 Ni 15.76095369 8.73619458 3.50877742 0.18866929 0.48871944 -0.16571259 Ni 15.77322194 7.03457937 5.23524313 0.15997157 -0.49535664 0.18873097 Ni 14.01089915 8.72729738 5.24810315 -0.18891447 0.21351799 -0.23083465 Ni 0.02239322 10.50607075 3.50598892 -0.47439439 0.15560031 -0.11431639 Ni 1.78220369 12.26169603 3.50719052 -0.09433862 0.07397944 -0.26891294 Ni 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