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=49.52850061876098 stress="-443.0689212279651 -141.03377411010388 -174.7551470130188 -141.03377411010388 -465.8996324412781 -299.88489557408946 -174.7551470130188 -299.88489557408946 -574.3804996652564" pbc="F F F" Fe 0.01479014 0.12866999 -0.30700236 0.44040492 0.18721194 0.26670641 Fe 0.80403308 1.67770934 1.26882052 8.40548467 -18.47405836 -60.96585408 Fe 2.62280036 2.28238906 -0.04431921 -0.80716965 -1.49236655 -0.69212985 Fe 4.03626947 3.59903025 0.91273589 -2.71981734 -1.53940616 1.11183451 Fe 2.18551006 -0.02635387 2.35006951 0.07370792 0.77480077 -0.13183409 Fe 3.44237599 2.03549960 3.47226764 -0.02370784 -0.47182165 -0.65499181 Fe 0.60640013 2.09696809 2.65199409 -7.95681864 18.42141074 61.85583246 Fe 0.52012423 3.97245804 4.33433111 20.75602202 -44.80814343 -25.91724635 Fe 4.91867296 0.70719283 -0.21093099 -0.84502804 1.25613224 -0.06776312 Fe 6.43477069 0.82066595 1.40612250 -11.02437110 6.13714893 -7.27433758 Fe 7.07090056 2.92082439 0.53349578 -4.29642697 -2.44765466 -0.39848422 Fe 8.50991741 4.19694960 0.82821758 3.47088283 3.08707145 0.27418355 Fe 7.71931066 0.12754235 2.35983977 -40.29322474 -43.95605526 -18.68034066 Fe 8.79234787 0.91209490 2.92544408 55.32407946 33.33977805 20.25945263 Fe 5.29785791 2.81841281 2.44751650 -80.90986689 -54.31701315 -75.13405579 Fe 6.17139371 3.38921942 3.25121598 82.71366914 53.75583072 75.70683715 Fe 0.10366495 4.93088263 -0.03691458 -9.89455577 -3.76884271 -5.57598484 Fe 1.57302997 5.46670072 0.80566388 3.68436508 3.91969653 -5.08920170 Fe 2.82964170 7.63095378 0.08152960 -0.65942005 -1.67402386 -0.05604928 Fe 3.96447334 8.99658626 1.30641821 1.09415554 0.21274662 1.21424724 Fe 2.51445102 5.41078917 2.30942029 5.87944455 -1.24563937 9.42296775 Fe 3.64201995 6.35886427 3.80165555 -17.13943448 6.48160428 3.26672050 Fe 0.49304836 7.13013175 2.82260666 2.04216823 -18.83610160 -7.37287039 Fe 0.29111564 8.70566323 3.41891026 -3.97524210 18.82445507 5.62511850 Fe 5.22640891 5.03009502 0.29859549 2.57505094 2.09134090 -0.79385291 Fe 6.08070810 6.99597479 0.97767424 -1.26272648 0.61870099 0.62299595 Fe 8.01924930 7.33322016 0.19139120 1.97680030 -0.36849361 0.08081799 Fe 9.05617302 8.74887227 1.83928768 -0.47222170 -0.91194564 0.26207559 Fe 7.74364830 5.39090109 2.55800575 -35.34929965 -16.53172352 -29.75623508 Fe 8.80517182 5.93842517 3.49120044 34.80657962 16.93242541 28.93299178 Fe 4.94958859 7.20509354 2.89927955 -32.25270948 -81.89968064 -79.80257428 Fe 5.38908402 8.15544580 3.70988559 40.63415759 86.91467611 74.31677308 Fe -0.18470701 0.74168493 4.99055534 0.36087394 0.53058687 -0.26865046 Fe 1.52109014 1.52292214 6.31754574 -5.70826563 -30.94350996 2.09573922 Fe 2.18787788 2.40284988 5.30281345 22.82225697 31.02379067 -35.75440448 Fe 3.49671829 4.05204683 6.17293429 5.39330304 -4.00175622 -2.48353559 Fe 2.03900512 0.19919299 7.44635628 3.93294489 -9.00309044 6.09296063 Fe 3.66453347 1.80927031 8.21803166 -1.88090327 0.23885703 -0.48232954 Fe 0.60583521 1.87380818 7.56351489 -21.18937203 9.25941161 27.82804059 Fe 1.21089978 4.16158218 8.63141876 -0.53620859 -0.70347538 1.20678082 Fe 5.00787103 0.00025667 4.93605374 -0.86361608 0.21452563 -0.73362212 Fe 6.40790851 1.17431218 6.17018338 0.81415138 0.93689881 -0.32465481 Fe 8.03294987 1.84497810 4.32012479 -3.97648562 5.13569684 7.22768499 Fe 8.67006226 4.01889152 6.28945693 2.74715814 -1.61308451 -2.26430093 Fe 7.05651154 -0.30879811 7.72771377 -0.67044982 -0.90294603 0.07036693 Fe 8.14185387 1.49563887 8.37333771 0.37385632 1.25045450 -0.37375424 Fe 5.64496827 2.61185402 7.76079166 -72.80428390 -53.97572792 -91.44907651 Fe 6.39193337 3.16588468 8.68197377 72.70875492 53.14283301 92.22692014 Fe -0.01460588 5.17492386 5.02933496 -20.44279377 45.06211759 25.27801315 Fe 1.41611730 6.24400789 6.35374949 -16.51369865 27.81181686 -15.94218421 Fe 1.89384863 7.80859780 4.46955150 2.44144936 -0.84696887 2.06026119 Fe 4.30064596 8.43285678 6.40247347 -7.58193801 6.59388755 -11.68812410 Fe 2.17953345 5.06317802 7.05658407 13.97243086 -23.23448312 17.78702312 Fe 3.13311747 6.45457770 8.88437637 -1.20183555 0.24529290 -0.92143876 Fe 0.38826415 7.67728387 7.99566835 -10.78013908 -27.17210057 -19.65865492 Fe 0.89269776 8.87884593 8.88629877 11.64222812 26.57450864 19.89444890 Fe 4.69191278 5.08465809 4.34789017 9.69901788 -11.32092553 4.44567055 Fe 5.98695207 6.94048193 6.88811901 52.09529189 -40.02418015 -50.32773645 Fe 7.88464648 7.43798112 4.82564050 -1.31283989 0.53965799 0.28048784 Fe 8.98085838 8.04393347 6.71617971 -0.61088578 -0.89844654 0.70973247 Fe 7.24564588 4.70481350 7.44046004 -2.30221443 3.12333300 0.95036822 Fe 9.02127302 5.56262259 8.75880869 -0.19959378 0.19468631 -1.02253309 Fe 5.09740517 7.61983908 7.75467197 -72.75328576 -5.53046472 33.33016526 Fe 5.88073772 8.66032728 8.49857366 28.33016001 38.08074357 27.35458707