64 Lattice="10.0 0.0 0.0 0.0 10.0 0.0 0.0 0.0 10.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=-44.91668490507991 stress="-247.94787410675653 -123.14401628545215 -6.0199376893623935 -123.14401628545215 -309.9969823697278 -118.90404110129549 -6.0199376893623935 -118.90404110129549 -384.367173290801" pbc="F F F" Fe -0.19042672 0.00084723 -0.11974764 -1.29006333 -0.70204460 -0.78396412 V 1.13465067 1.09885626 0.94513989 -0.83481260 -0.70412890 -3.84690660 V 2.18622725 2.45098600 -0.20906903 0.57975988 1.56649204 0.33056417 Fe 3.56760043 4.33045274 2.06755895 17.16775025 -5.97990941 -5.70118423 V 2.14981165 0.60495863 2.43754704 3.17147789 -0.27567397 4.48704094 Fe 4.04826199 2.03867718 3.44878256 -13.62566054 -4.14999933 11.55304421 V 0.03537757 2.18740705 2.29616042 -0.60850643 1.93010504 2.21234269 V 1.26068003 4.19742692 3.76270000 -17.86964813 -14.37815264 17.88511401 Fe 4.86977059 -0.18818507 0.12676307 0.74090297 0.77403705 1.06242622 V 6.20284064 1.25343158 1.38402978 1.87962028 -5.88925574 -9.08457688 V 6.83477679 2.83365485 0.26620783 -0.28750641 2.75531107 -1.58695463 Fe 8.47978775 3.84128477 1.28804300 0.94858068 -10.32661647 -6.74340813 V 6.96091536 -0.11557801 2.23025534 2.47428081 -4.61606366 4.15115366 Fe 8.74292885 0.95337796 3.97907469 14.63102451 -14.66777346 -15.70557399 Fe 5.33885230 2.44769256 2.40086447 8.17606672 12.43075505 -4.23258292 V 6.01041789 4.45866263 3.65654752 5.21306071 -1.25070336 -3.53035890 V 0.02392839 5.27907522 0.41251581 -63.56996232 -57.81852922 -66.39272750 Fe 0.79587726 5.96968342 1.21763330 61.80208819 54.57432674 66.11183518 Fe 2.36097060 6.98996578 0.27590201 1.50973500 0.87053049 -1.05639179 Fe 4.22489396 8.15704123 0.92044532 1.49798803 -0.17237783 0.01336594 Fe 2.06037196 4.91245106 2.63870796 4.45740447 22.68853938 -19.24653939 V 4.60271419 6.26112469 4.38347357 1.71026815 20.01073473 -1.40315526 Fe -0.06048499 7.67962494 1.99846051 -0.39359281 2.47300412 1.83345896 V 1.07608401 8.05005922 4.31955583 0.25052710 -1.25122661 0.58650401 Fe 5.27527694 5.15124986 0.25306836 -26.04566278 -25.32935625 -33.52446924 Fe 6.06443900 5.92670380 1.28229395 26.88377938 23.66680647 33.83055564 Fe 7.12311218 7.71341482 0.20224975 0.27049813 1.00347920 1.61475859 V 8.62433229 9.07378456 1.47811348 -1.65124322 -1.57556690 0.13075493 V 8.35742332 5.28666277 2.32073732 -1.93776091 9.48818940 6.31047578 V 8.89463959 6.98772601 3.57163000 -0.23311500 2.36052296 0.91520623 Fe 5.11768243 7.09500813 2.86132631 1.95465226 3.68157764 -9.03762340 V 6.04780941 8.90338195 3.12621723 2.27421495 0.53398791 -0.36558228 Fe -0.35013051 0.92391023 5.11015588 -0.60750994 0.19717371 -1.36675172 Fe 1.47115063 1.49893045 6.00226074 -1.69851025 -2.92357719 5.08401463 V 1.90527714 2.85447639 4.83684360 5.35473050 1.89790532 -3.65270778 V 4.13352355 4.74283009 6.69897437 -3.05577533 2.19220479 18.71994165 Fe 2.15271953 -0.08098794 6.93743998 2.10181226 -2.45964449 3.11018159 V 3.67263710 0.93576488 8.60485884 -0.58445713 0.47721366 -2.17013615 Fe 0.41515985 2.55866074 7.88974970 -28.91471568 -45.72003992 -50.40185897 V 0.96475159 3.42666943 8.82784186 28.43637608 44.92987372 50.20550487 Fe 5.37270121 -0.36164891 5.15318577 1.33329251 2.17070495 -0.27504968 V 6.43974684 1.66324167 6.24739575 1.14414947 -6.96731234 -0.05065939 V 7.79528673 1.85112636 4.94955460 -12.93263995 15.13817735 12.32867815 Fe 7.81501684 4.39772908 5.51397855 3.18940890 -5.70740847 -2.81051208 Fe 7.78356905 -0.14213311 7.52104674 -6.27626122 -10.59581133 -9.37088908 V 8.45885593 1.13786150 8.48956055 5.20346065 11.73170764 7.77002785 V 5.40789670 2.88988671 7.01232711 -16.77683334 -17.11707609 -42.16871653 Fe 5.80074168 3.49919669 8.29408809 13.09481741 20.90745791 46.09245317 V 0.26083218 4.71471639 5.17608947 -3.54793444 3.09508611 5.79812279 Fe 1.85415693 6.45206652 6.60515549 -10.90224528 -9.81668997 12.02407007 Fe 3.01446092 6.91698331 5.47346738 10.39057797 3.53695408 -12.21109120 Fe 3.15946038 8.80424963 6.05803369 0.03894008 2.88645650 1.13008985 V 2.65708653 4.95225188 8.34693839 -1.93148782 -1.11706226 1.22049073 V 4.09125890 6.58990252 8.40708704 -2.82115495 -1.51163811 3.45067323 V 0.45087419 7.81528047 6.99144057 -9.84425171 -0.20432027 -5.77330740 V 1.73502263 8.38719636 7.98183348 8.57916694 2.87466458 5.78429764 Fe 4.45646683 4.69905277 4.98427096 -4.07927111 -26.65309081 -7.94068028 Fe 6.70407375 5.89929708 5.98360156 -26.82508624 -25.16476891 9.66048576 V 7.50344453 7.12602910 5.49609967 19.35691553 31.47277768 -12.59498023 Fe 8.88551901 8.68367862 6.15250266 -0.04790170 -1.02487407 0.03778128 Fe 7.45084756 5.17344201 7.63910924 -10.01173269 -8.94851364 1.92059341 V 8.88914239 6.11110765 8.05696846 10.49653083 7.88688572 1.50319649 V 5.06437397 7.66094811 7.31419242 -3.03729015 -0.90929516 -14.68469290 Fe 5.98729065 8.26836711 8.75031799 5.92873392 3.72485836 8.84482833