108 Lattice="10.410896801249006 0.0 0.0 0.0 10.410896801249006 0.0 0.0 0.0 10.410896801249006" Properties=species:S:1:pos:R:3:forces:R:3 energy=-397.4111146806027 stress="-0.011858604369866951 -0.00018482516267381396 0.0016036348938844223 -0.00018482516267381396 -0.010734175348252214 0.0007820757772263078 0.0016036348938844223 0.0007820757772263078 -0.01154603469960044" free_energy=-397.4111146806027 pbc="F F F" Ni 0.01811373 0.02342953 0.03779700 0.23401631 0.06582128 -0.08550080 Ni 1.76906574 1.76525833 0.02617597 -0.16520944 -0.15160868 -0.61869004 Ni 1.72671684 0.02038161 1.74513121 0.43573153 -0.47362013 0.08125906 Ni 0.00650693 1.72908526 1.70370268 -0.29185149 0.61378861 0.55053640 Ni 3.46890267 0.01158679 0.02711217 -0.17615792 -0.01857266 -0.12659869 Ni 5.21623954 1.74856291 0.02927364 -0.38598898 0.14416015 -0.51885762 Ni 5.19931317 0.02960989 1.71745653 0.11374782 -0.35307513 0.52979488 Ni 3.42589378 1.74822770 1.76197063 0.48453981 0.15486857 -0.06257381 Ni 6.92846149 0.02038653 0.00489614 -0.27509938 0.01123123 -0.16428480 Ni 8.67320069 1.74067716 0.02354906 -0.01136908 0.31663358 -0.09930221 Ni 8.64085052 0.01122559 1.70405810 0.08795497 -0.05248702 0.59595836 Ni 6.90792508 1.76256164 1.76291416 0.73062556 -0.22218672 -0.14400881 Ni 0.01686936 3.47240285 0.00076659 -0.28108815 -0.19865218 -0.18095734 Ni 1.71747850 5.19322224 0.01989596 0.54331785 0.32409540 -0.60634438 Ni 1.72677990 3.49064621 1.70816119 0.19515629 -0.30272796 0.68293883 Ni 0.00011099 5.22254561 1.71173192 -0.45304267 -0.17822698 0.30378589 Ni 3.46237126 3.49067794 0.01888793 0.20521462 -0.08511813 -0.26274612 Ni 5.18633331 5.21564660 0.03664464 0.48166722 0.01283319 -0.09533633 Ni 5.21651832 3.44371052 1.74096428 -0.27126183 0.69216941 0.11738329 Ni 3.44797976 5.22419326 1.76639841 0.23569113 -0.29215857 -0.16275219 Ni 6.93830027 3.45222460 0.00591169 0.00294316 0.36253828 -0.18960566 Ni 8.70015636 5.21731439 0.03125251 -0.07849599 -0.06856999 -0.17737501 Ni 8.68859884 3.47310742 1.74455150 0.16424380 -0.19513430 0.07284649 Ni 6.96428853 5.20409798 1.76046691 -0.50644666 0.13002533 -0.26869453 Ni 0.01015202 6.91834050 0.01591428 -0.24092425 0.08072100 -0.13866394 Ni 1.70977695 8.65221526 0.03384693 0.56437174 0.15236995 -0.29593987 Ni 1.74235243 6.92532931 1.72371184 0.09592061 0.34069021 0.36107263 Ni 0.02857741 8.69740754 1.75791495 -0.13442374 -0.13334556 0.27102882 Ni 3.48034929 6.92828021 0.03022101 -0.29626557 0.02507019 -0.43936849 Ni 5.18670748 8.68990886 0.03099518 0.35504216 -0.07565373 -0.19964791 Ni 5.17923013 6.96103882 1.76935385 0.50521071 -0.11762557 -0.24615916 Ni 3.48095803 8.68653092 1.73643424 -0.38835501 0.25339840 0.46268481 Ni 6.97446667 6.96414196 0.00459772 -1.03227690 -0.62111428 -0.18700148 Ni 8.64892254 8.64743477 0.00688714 0.06322191 0.13304343 0.19039968 Ni 8.65315655 6.93141250 1.72350057 0.39492392 0.09167516 0.68159023 Ni 6.92380042 8.68500198 1.74846148 0.07490616 0.15749421 0.22562901 Ni 0.00045816 0.01272935 3.42892450 -0.20349629 -0.13078078 0.21090230 Ni 1.70852016 1.71420098 3.48732874 0.19510413 0.41067901 -0.31720921 Ni 1.73549379 0.00848805 5.23207489 0.10513879 -0.36047875 -0.40343165 Ni 0.01043344 1.75886425 5.20988823 -0.53047883 0.10529666 -0.24342217 Ni 3.47881941 0.02893174 3.45936001 -0.08103828 -0.38045340 0.07430412 Ni 5.22820491 1.77358701 3.45259610 -0.20594622 -0.38541199 0.44094385 Ni 5.18371995 0.01990267 5.22102039 0.43274087 -0.29135657 -0.31955746 Ni 3.47757992 1.73913116 5.19133398 0.01603082 0.16558530 0.35543181 Ni 6.93751863 0.00000693 3.47313258 -0.25234450 -0.11721691 0.01549768 Ni 8.66740350 1.73986315 3.47352816 0.21082342 -0.09639818 -0.18806214 Ni 8.65236963 0.03381589 5.23586337 0.23210529 -0.31813531 -0.35269805 Ni 6.92367475 1.75930691 5.22126202 0.02414814 -0.11946493 -0.15557355 Ni 0.01854370 3.49866320 3.41689620 -0.37202477 -0.32381498 0.28925592 Ni 1.73046259 5.21738784 3.44267248 0.24656539 -0.06941684 0.35375356 Ni 1.75773063 3.46000812 5.17498675 -0.34603867 0.31473112 0.47514157 Ni 0.01516887 5.23353140 5.18180984 -0.37200857 -0.31354818 0.07572670 Ni 3.45748555 3.44491334 3.49784403 0.11105148 0.31466285 -0.58519180 Ni 5.18970862 5.23171432 3.44120629 0.21080693 -0.35559419 0.15707191 Ni 5.23969904 3.50074936 5.21713711 -0.40531308 -0.47202397 -0.09131167 Ni 3.50205048 5.20309004 5.19130878 -0.55857568 0.19129198 0.20308603 Ni 6.97352974 3.49137541 3.49246855 -0.65093157 -0.20170497 -0.59120910 Ni 8.69384606 5.19501227 3.46017359 0.26454350 0.52354322 0.06982740 Ni 8.64155489 3.46988031 5.17165286 0.61570476 0.11874731 0.81860448 Ni 6.92261030 5.19738963 5.19450680 0.32498960 0.39975963 0.26877900 Ni 0.02128417 6.91640757 3.43654751 -0.32461217 0.40117401 0.27168786 Ni 1.74216078 8.67670500 3.50368346 0.14118663 0.19472949 -0.26491912 Ni 1.73695381 6.93786316 5.23350433 0.18050871 -0.02167766 -0.39266870 Ni 0.02746414 8.69784595 5.23079409 -0.15941332 -0.05039777 -0.16701514 Ni 3.44762283 6.96156327 3.48975769 0.16481347 -0.10705685 -0.17830894 Ni 5.23612712 8.70256896 3.49778679 -0.46774469 0.16462549 -0.16915681 Ni 5.21822236 6.91983355 5.22755402 -0.07063115 0.16022146 -0.02127161 Ni 3.48805894 8.64932635 5.22059596 -0.12864614 0.38771846 -0.21128040 Ni 6.90768347 6.95257223 3.49486740 0.44248493 -0.46563743 -0.44881117 Ni 8.67397102 8.62617801 3.50453651 0.25584175 0.10437042 -0.50346621 Ni 8.68292408 6.91678200 5.23219625 0.23806887 -0.15238713 -0.20980610 Ni 6.96025236 8.66669155 5.17104038 -0.30542141 0.31125470 0.86671623 Ni 0.01249444 0.02875157 6.93775959 -0.35100959 -0.22695014 -0.22235783 Ni 1.70842168 1.74091642 6.91145747 0.70349090 0.45565881 0.30155744 Ni 1.72124420 0.04239762 8.66165566 0.71593966 -0.26858370 0.02030648 Ni 0.02122372 1.71892767 8.69452103 -0.19375639 0.73727216 -0.05074095 Ni 3.48077818 0.01650640 6.91287379 -0.28685383 -0.05971369 0.48396434 Ni 5.23700083 1.71690962 6.95732750 -0.54589726 0.60682007 -0.25730815 Ni 5.21361659 0.02729154 8.66348216 -0.18746613 -0.26448288 0.14765707 Ni 3.44238254 1.80036080 8.70374540 0.25151920 -0.35748529 -0.13385053 Ni 6.94604718 0.01765263 6.92130637 -0.18183265 -0.46934591 0.14424959 Ni 8.69664379 1.72933626 6.91165927 0.00610006 0.47850872 0.39974455 Ni 8.64769687 0.00302477 8.70141702 -0.25174685 0.34045129 -0.47925023 Ni 6.92861536 1.70872475 8.67789007 0.26713146 0.69661196 0.22573247 Ni 0.00984086 3.49265820 6.94094629 -0.31168080 -0.23074381 -0.22569982 Ni 1.70209374 5.22672645 6.92176689 0.60361015 -0.14126521 0.09912006 Ni 1.73891443 3.48664499 8.66476968 0.10330043 -0.30271419 0.13277382 Ni 0.04884144 5.17640671 8.70099195 -0.22679734 0.61078807 0.02460495 Ni 3.48876725 3.49481854 6.93890389 -0.42596351 -0.48028174 -0.27746519 Ni 5.19303298 5.19979092 6.95521550 0.42423699 0.48985620 -0.18392644 Ni 5.22878228 3.49239289 8.64119783 -0.29596482 -0.39108543 0.73590600 Ni 3.45453381 5.20321551 8.65958768 -0.10631390 0.11270183 0.43293836 Ni 6.91826464 3.48920060 6.96132046 0.72631175 -0.30957479 -0.26160676 Ni 8.66689751 5.23767748 6.96650180 0.32601619 -0.70259302 -0.36677152 Ni 8.70705184 3.44553206 8.68111898 -0.20557312 -0.16864295 -0.17199098 Ni 6.95613568 5.18116915 8.70592876 -0.09475319 0.39099869 0.17307671 Ni 0.00637238 6.96258862 6.92147299 -0.27749021 -0.20136586 0.43076515 Ni 1.77712594 8.68349859 6.91479277 -0.41145267 0.31435621 0.17499319 Ni 1.75191526 6.97308798 8.68164675 -0.36599967 -0.51829801 0.12904064 Ni 0.00450646 8.69524059 8.69007596 0.55409977 -0.36139756 -0.60067554 Ni 3.46430849 6.93793062 6.96465561 -0.07256578 -0.37231380 -0.50313619 Ni 5.17316579 8.66022687 6.92206909 0.72606434 0.29498283 0.17527388 Ni 5.20606253 6.92919884 8.65020671 0.23982454 0.02063808 0.37535571 Ni 3.43665891 8.66516723 8.65353947 0.31505152 0.34245684 0.32145900 Ni 6.97170580 6.93350512 6.93148192 -0.55811653 0.15094096 0.26268355 Ni 8.68366718 8.68486012 6.93721232 -0.04785307 -0.14719761 -0.18400769 Ni 8.70383095 6.91399197 8.68967897 -0.14223086 0.11888238 0.00448441 Ni 6.96894146 8.67810290 8.69698233 -0.37956112 -0.24607382 -0.26575818