500 Lattice="17.464442485608306 0.0 0.0 0.0 17.464442485608306 0.0 0.0 0.0 17.464442485608306" Properties=species:S:1:pos:R:3:forces:R:3 energy=-1999.5113758658565 stress="-0.006567868835708183 0.00019563827435484617 0.0003571647389531654 0.00019563827435484617 -0.0066217769206117485 8.181904392081346e-07 0.0003571647389531654 8.181904392081346e-07 -0.006298512903323303" free_energy=-1999.5113758658565 pbc="F F F" Ni 0.00467634 0.00775156 0.01405325 0.65571489 0.59948510 0.69144838 Ni 1.70807430 1.70574296 0.02752136 0.17934248 0.15309212 -0.45079547 Ni 1.70843153 0.02036045 1.77178522 0.36406836 -0.39851128 -0.17361294 Ni 0.00408268 1.72159765 1.71739503 -0.48915679 0.18843100 0.11210457 Ni 3.51914600 0.02195822 0.01177206 -0.20376472 0.34432032 0.49477659 Ni 5.24323536 1.73562818 0.00907174 -0.08278398 0.12663602 -0.31116007 Ni 5.27006233 0.01692466 1.75686734 -0.16488387 -0.44795553 -0.22367959 Ni 3.48434244 1.76387346 1.73297279 -0.09858056 -0.13807076 0.14897564 Ni 6.99347448 0.02224287 0.00391998 0.01231402 0.29646700 0.30969880 Ni 8.70678976 1.77924763 0.03176610 0.10082201 -0.38439661 -0.43360092 Ni 8.70639261 0.03294592 1.76473083 0.21122783 -0.36454327 -0.11238408 Ni 6.95961268 1.75558166 1.73403977 0.33367065 0.10132800 0.20973314 Ni 10.44660366 0.03260800 0.00027342 0.06581120 0.43110380 0.54482687 Ni 12.19075145 1.77513932 0.02595217 0.31265993 -0.38800352 -0.34488208 Ni 12.25235959 0.00126406 1.76762765 -0.24979239 -0.12548879 -0.26791853 Ni 10.46216155 1.76043843 1.75203484 0.25724590 -0.16491203 0.38705830 Ni 13.98994092 0.02485339 0.02865733 -0.10890531 0.54162294 0.46114020 Ni 15.70783561 1.74216021 0.03078582 -0.51003758 0.15247084 0.55023463 Ni 15.72252687 0.02682087 1.73433772 -0.58884906 0.41512430 0.11736905 Ni 13.96620407 1.73499270 1.76659334 0.14165294 0.24884276 -0.21985858 Ni 0.01836030 3.52923915 0.02701524 0.25443008 -0.19558767 0.17339419 Ni 1.75805832 5.25954119 0.01200274 -0.07755797 0.19736561 -0.31488882 Ni 1.71252379 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3.50523568 0.00847914 0.19875135 -0.33468013 -0.27153416 Ni 15.71325967 5.20678416 0.01920258 -0.30382702 0.18951838 0.35402296 Ni 15.73935385 3.52480092 1.78089332 0.15841666 -0.42635493 -0.37932888 Ni 13.97883665 5.21929687 1.73813593 -0.09038845 0.24075533 0.30935855 Ni 0.01177275 7.01998755 0.02481140 0.41714103 -0.17446731 0.45276795 Ni 1.72961926 8.74965747 0.02948979 0.19176891 -0.29297797 -0.57847753 Ni 1.77921432 7.00978539 1.77893029 -0.22562474 -0.29699309 -0.46609461 Ni 0.02914329 8.76046434 1.73692323 -0.55894951 -0.15120800 0.14170671 Ni 3.51874529 7.00814994 0.02965001 -0.16729490 -0.15245186 -0.29943678 Ni 5.26438657 8.75034451 0.00979193 -0.07835499 -0.12086091 -0.58031455 Ni 5.24594730 7.00310840 1.75632212 -0.16839794 -0.17797042 0.10852426 Ni 3.49152549 8.75228491 1.73795734 0.21246922 -0.09951863 0.40626632 Ni 6.96468455 7.00700706 0.01060156 0.22927895 -0.10321142 -0.36613537 Ni 8.70028641 8.74504673 0.00284164 0.28908626 -0.16279537 -0.27325022 Ni 8.71649772 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10.44435512 0.00937677 -0.15756391 0.11958620 -0.55805519 Ni 5.21526754 12.19742216 0.00674286 0.34221137 0.25684602 -0.41877758 Ni 5.27343909 10.44856069 1.71780212 -0.15229060 0.36763895 0.68723888 Ni 3.52627997 12.19131407 1.73646366 -0.17548644 0.01289012 0.19872096 Ni 7.01362280 10.50814665 0.01035035 -0.24112002 -0.08910997 -0.55111853 Ni 8.71404021 12.22670852 0.02491842 0.10708435 0.27729838 -0.45596916 Ni 8.71354956 10.49340440 1.71703765 0.20517038 -0.11994030 0.65003459 Ni 6.98648416 12.24834437 1.74788253 -0.19465655 -0.09807097 0.32845733 Ni 10.48153533 10.51182371 0.00847822 -0.21128215 -0.40798774 -0.32000695 Ni 12.19980814 12.19474569 0.00866097 0.33617982 0.37564479 -0.43149453 Ni 12.20743303 10.45023877 1.73469923 0.34063754 0.19629001 0.45888052 Ni 10.50270717 12.25909779 1.71836606 -0.27261337 -0.12231929 0.66171114 Ni 13.94235917 10.46484498 0.00506869 0.42272838 0.19022270 -0.17623724 Ni 15.72600112 12.19534619 0.00226267 -0.61066388 0.10174139 0.58709865 Ni 15.68768485 10.46973405 1.76728909 0.29492384 0.14207615 -0.34158244 Ni 13.93917691 12.24751023 1.75621471 0.14277479 -0.25011589 -0.18132470 Ni 0.01512572 13.96148813 0.01074570 0.60659861 0.05148269 0.66251983 Ni 1.74234022 15.69243259 0.02536774 -0.05935822 -0.51715047 0.45796920 Ni 1.77458678 13.95324975 1.73485918 -0.43928779 0.22816381 0.09804118 Ni 0.00972459 15.72764089 1.76028437 0.71558869 -0.81000439 0.02461625 Ni 3.49537110 13.93822641 0.00611424 0.02137341 0.40779645 -0.33256588 Ni 5.20994001 15.75100384 0.01079331 0.08022956 -0.69332274 0.67579815 Ni 5.20481436 13.94152088 1.76308171 0.37761389 0.33771506 -0.37876573 Ni 3.45867514 15.71437070 1.75003986 0.14463411 0.27622727 -0.09428528 Ni 7.00149317 14.00126817 0.02045273 -0.34813802 0.01576801 -0.27645300 Ni 8.75336205 15.70387632 0.00106603 0.00650882 -0.25105704 0.39121912 Ni 8.72040419 13.99764673 1.77133246 0.19173213 -0.42181454 -0.07419506 Ni 7.03019585 15.71450248 1.75608769 -0.36716670 0.37671172 -0.25076571 Ni 10.43810507 13.96126879 0.00183428 0.29282016 0.25336501 -0.38207633 Ni 12.24075635 15.75287141 0.01632834 0.01895385 -0.55914299 0.36236511 Ni 12.22603234 14.00272930 1.71701571 0.21648553 -0.21886193 0.20264411 Ni 10.51180803 15.68624714 1.75895468 -0.20469091 0.56503750 -0.37044926 Ni 13.96873898 13.95513552 0.00160145 0.31413656 0.30229401 -0.11300704 Ni 15.74950734 15.73683513 0.01904950 -1.03412738 -1.02252992 1.00043676 Ni 15.73280217 13.94448740 1.76667016 0.07501290 0.44656668 -0.46373520 Ni 13.96066512 15.72667332 1.76488072 0.41842405 0.02933534 -0.17548986 Ni 0.02824045 0.01978991 3.48160848 0.21251647 0.27765208 0.11725037 Ni 1.71059048 1.78556969 3.50760471 0.45718888 -0.23617849 -0.32071159 Ni 1.78121191 0.03262272 5.24492202 -0.42464453 -0.36438707 -0.18479918 Ni 0.00997958 1.75044740 5.22623532 -0.31439120 -0.15387323 0.21578154 Ni 3.52890890 0.02063646 3.48161589 -0.29262903 -0.17926099 0.01418589 Ni 5.25591612 1.74388539 3.46939567 -0.28391184 0.12211749 0.11393311 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