1372 Lattice="22.913035234740434 0.0 0.0 0.0 22.913035234740434 0.0 0.0 0.0 22.913035234740434" Properties=species:S:1:pos:R:3:forces:R:3 energy=-3457.137156771486 stress="-18.313782967995365 7.959798232049536 -8.945183905107946 7.959798232049536 -12.483083178062003 4.487400323214615 -8.945183905107946 4.487400323214615 -28.797145101359234" pbc="F F F" H 0.03221232 0.02807800 0.03063512 0.26607188 0.62475098 0.24252488 Ni 1.63535403 1.66431397 -0.00566534 0.48399348 -0.24775076 0.51882888 H 1.65638785 0.00518269 1.63056293 -0.06238415 0.10527949 -0.37011872 Ni 0.01796917 1.66804391 1.61411623 0.37118172 -0.57541321 0.40164173 Ni 3.28625801 0.02460381 -0.01823107 -0.08621459 0.16677994 0.25424622 Ni 4.96733621 1.62427267 0.00282645 -0.33975769 0.76535791 0.43818865 Ni 4.90361375 -0.02909820 1.61626612 0.07896318 0.30832891 0.82403564 H 3.21135024 1.66479912 1.65124740 0.17991896 -0.25593619 -0.30877800 Ni 6.52414627 0.00702082 0.03278745 0.41304869 0.32822478 0.23422793 Ni 8.19970139 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-0.49949626 0.90017951 H 16.33290452 14.73016993 11.45818059 -0.18778222 -0.28773916 -0.10072031 Ni 19.64038221 13.15236336 9.82613148 1.75920286 -0.14195042 -1.16078918 H 21.27003539 14.70505943 9.83796967 0.04413299 0.07357567 0.21243221 H 21.30682991 13.07991607 11.42064874 0.01185691 -0.09769036 -0.18849383 Ni 19.61224209 14.70419200 11.48516352 1.09242041 0.97130715 1.35339095 H 0.00208519 16.33783819 9.81263052 0.01603435 -0.37708889 -0.04796526 H 1.63777394 18.02798051 9.79169820 -0.00915178 -0.13908119 0.04896062 Ni 1.64526469 16.33704353 11.44407551 -0.94212151 1.11183949 0.73517237 H -0.01482798 17.95210123 11.42093325 -0.08172812 -0.05620230 0.15801368 Ni 3.23800149 16.40400084 9.81746096 0.28501948 0.13884376 -2.49436764 Ni 4.90553197 17.98885742 9.80821447 -0.75648325 0.42378577 -2.12153868 Ni 4.88802311 16.38707531 11.48661117 0.48751865 -1.01321973 2.31848208 Ni 3.29782611 17.98117517 11.46099584 -0.76081561 1.87305050 1.16925206 Ni 6.54161486 16.40273335 9.82645428 1.05011869 -0.46162694 -1.96409465 H 8.18774019 18.00597034 9.79733977 -0.03737228 0.01507639 0.10750518 Ni 8.15337815 16.34198206 11.46495612 1.55340009 0.70407247 -0.97686463 Ni 6.55995804 18.01892123 11.48924943 1.48560628 1.64169308 1.47062942 H 9.82879688 16.38168394 9.76689956 -0.08212955 0.01002524 -0.20889981 Ni 11.48266218 18.03151091 9.83031044 -1.20030402 -0.98989023 0.62769727 H 11.45483256 16.37394836 11.43185511 0.25084875 0.18135248 0.40140126 H 9.82084443 18.00422345 11.42009551 0.15863130 0.01941177 0.06074476 H 13.14405220 16.40847547 9.84082205 0.23964320 0.05891080 -0.02601574 H 14.73097512 18.02891133 9.79287399 -0.03984625 0.05289933 -0.06188141 Ni 14.72115908 16.37559986 11.45102116 0.86580140 -0.26204452 -1.40359232 Ni 13.08944495 18.00436001 11.43151381 0.24179309 0.26841647 -1.58064095 Ni 16.36270619 16.38099584 9.80325703 -0.35810232 0.80478848 1.02853743 Ni 17.97493384 18.00313380 9.80425957 0.25149168 0.59130546 0.88607170 H 17.98189141 16.38415281 11.47517106 0.09929371 0.07772806 -0.36223224 Ni 16.39907224 18.01424983 11.47802524 0.30841758 -0.04525720 0.67627160 Ni 19.63549747 16.38329343 9.76731421 1.05561374 -2.21752898 0.23500630 Ni 21.26944423 17.97240757 9.81650675 1.03587236 0.86042192 -0.62037299 Ni 21.28454064 16.39471086 11.48924914 0.58696611 -0.58235175 0.52652590 Ni 19.63184020 18.02026119 11.45792741 -2.02797610 0.40580289 1.46830266 Ni 0.02569684 19.64462821 9.83054008 0.97483150 -0.12561578 0.02720432 H 1.60575726 21.27189900 9.84817983 -0.37615687 0.10937221 0.17396093 H 1.61984540 19.63399695 11.45620112 -0.12572376 0.11589574 -0.00141271 Ni -0.01073166 21.27475508 11.46091830 0.91616535 -0.57681261 -0.04229708 H 3.30154409 19.66013114 9.77442437 0.53142032 0.16789217 0.20574088 Ni 4.92394419 21.29874044 9.80744780 -0.61586282 0.68199758 0.50580003 Ni 4.95785561 19.64652597 11.47424503 -0.43150898 0.90910610 1.53062571 Ni 3.26487527 21.28269279 11.39996458 -0.79000189 -1.08332377 -0.10365687 Ni 6.52472874 19.63472404 9.78781229 2.74319600 -0.84268153 0.11259630 Ni 8.20153963 21.25344431 9.81799712 -0.57511416 0.04665732 0.13373406 H 8.18403163 19.67169350 11.48710660 0.26277279 0.42322264 -0.11046782 H 6.55076984 21.26188292 11.47670982 -0.01631138 0.09907031 -0.13616308 Ni 9.78589179 19.62373548 9.83514889 0.16574773 -0.23429841 0.13867965 H 11.50351395 21.30855044 9.78193225 0.16830463 0.16091967 0.13167175 H 11.45780419 19.63240684 11.51729063 0.09531880 -0.14158103 0.06914021 Ni 9.82322514 21.29281527 11.44084337 1.25334331 -0.18653466 0.39446347 Ni 13.12452474 19.63137920 9.81023799 -0.65585994 0.39574453 1.48071432 Ni 14.73613308 21.29537467 9.79003651 0.53104526 0.89847945 1.78959163 H 14.73040355 19.60174787 11.48842864 -0.11712312 0.03398424 0.30025960 Ni 13.10833706 21.30269140 11.45881991 -1.12743043 -0.34601559 -0.50261673 Ni 16.37778385 19.63856675 9.83837068 -1.06284776 -0.09564719 1.29585719 H 17.98720969 21.30604747 9.87188870 -0.22266186 0.07326972 -0.23628793 H 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