864 Lattice="20.991257858276374 0.0 0.0 0.0 20.991257858276374 0.0 0.0 0.0 20.991257858276374" Properties=species:S:1:pos:R:3:forces:R:3 energy=-3519.8623324330415 stress="-0.005957410594506632 -6.959897833446018e-05 -0.0002762432711698242 -6.959897833446018e-05 -0.005879072150831529 -5.6447467480817325e-05 -0.0002762432711698242 -5.6447467480817325e-05 -0.005861153284104095" pbc="F F F" Ni 0.00006993 0.00798625 0.00792588 0.76825640 0.80959171 0.86159781 Ni 1.71591834 1.71713814 0.01157394 0.14069092 0.09819048 -0.41472407 Ni 1.77839324 0.02431512 1.70626742 -0.24661685 -0.33731941 0.29361858 Ni 0.03336198 1.77923102 1.76280747 -0.31671729 -0.43351382 -0.16046491 Ni 3.48444582 0.02090195 0.00591626 0.12137673 0.32838205 0.32413912 Ni 5.22140806 1.76163151 0.02548628 0.40582097 -0.25703068 -0.46916939 Ni 5.27357923 0.03402939 1.76685721 -0.22293396 -0.49063287 -0.26278873 Ni 3.51876949 1.77397214 1.71792035 -0.37449861 -0.38759647 0.51561288 Ni 7.03702449 0.00625237 0.02668490 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17.48497790 0.31083448 -0.13416509 -0.32145694 Ni 8.71421125 14.02444107 19.24663859 0.19655129 -0.32969766 0.19442793 Ni 7.03493425 15.76774695 19.23176654 -0.29498425 -0.02380656 0.37909565 Ni 10.49342718 14.01101256 17.47816607 -0.06150076 -0.33739634 0.13992911 Ni 12.21745546 15.72628488 17.50265542 0.23242512 0.40843106 -0.15613878 Ni 12.24485628 14.00023889 19.24385007 -0.07960336 -0.30006405 0.18767005 Ni 10.46013106 15.71127052 19.26663999 0.19902730 0.19805412 0.06545767 Ni 13.98934957 14.01332147 17.50633871 0.15232480 -0.51061034 -0.17293628 Ni 15.72926623 15.71464623 17.48565489 0.19539450 0.29196236 0.14613308 Ni 15.77446916 13.96992313 19.24282623 -0.16960699 0.09268988 0.19693105 Ni 13.96345611 15.73711311 19.22054047 0.30574267 0.16338959 0.39454791 Ni 17.51021457 14.01121750 17.48778292 -0.03658802 -0.11646256 0.08878427 Ni 19.22316895 15.77724007 17.47094810 0.48074275 -0.21699138 0.45665468 Ni 19.21871771 14.02496237 19.26257472 -0.51724470 -0.12946113 -0.63345484 Ni 17.46540011 15.73868460 19.22605218 0.30945135 0.14080332 0.30664769 Ni 0.02796157 17.49307801 17.46541841 -0.44712330 0.19144812 0.24703135 Ni 1.76349912 19.22245684 17.48084473 -0.17365696 0.42574014 0.29160350 Ni 1.68670275 17.50409724 19.22736219 0.31705752 0.03352200 0.35545197 Ni 0.02286119 19.23675538 19.22614300 0.72762004 -0.72577222 -0.83856319 Ni 3.48417757 17.46737533 17.50849443 0.12461919 0.26332883 -0.10386537 Ni 5.23489752 19.22738439 17.46277974 0.09567644 0.18459256 0.25297509 Ni 5.27264407 17.51582591 19.21327798 -0.11212860 0.15164125 0.40136511 Ni 3.47406400 19.21611742 19.26552742 -0.00054204 -0.51804021 -0.59373139 Ni 7.02895160 17.49053592 17.51846362 -0.16572112 0.23675728 -0.31264321 Ni 8.76708998 19.25834747 17.52139551 -0.19260781 0.19540162 -0.22251143 Ni 8.80437909 17.49893469 19.22640675 -0.19365471 0.13958334 0.37943466 Ni 7.03498258 19.25530861 19.24951755 -0.08832066 -0.53981864 -0.54741013 Ni 10.51275805 17.52191431 17.47104472 -0.15561752 -0.44975942 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