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=117.65953459035673 stress="-572.6975399954823 -73.19593311873638 -212.814788186523 -73.19593311873638 -672.3997521001495 6.588115974378752 -212.814788186523 6.588115974378752 -533.2038086196525" pbc="F F F" Fe 0.22086729 -0.01689004 -0.22903346 -2.73943679 -1.75650637 -2.59192476 Fe 1.59933616 0.93572417 0.98055861 -17.12710192 -44.28639844 30.58530800 Fe 2.14715992 2.22516294 0.23402360 -3.65072623 15.18611194 -55.43240034 Fe 2.93229823 3.31172061 1.19084223 21.48921933 31.93418840 26.97322932 Fe 2.29465675 0.14771729 3.20399864 -19.68566310 -6.59644186 -8.71378687 Fe 3.85840215 0.76443239 4.02546443 17.44395019 14.65469082 -3.07176231 Fe -0.04422626 2.79563377 2.93187189 0.66705588 -1.23502202 -0.73336767 Fe 1.55604684 4.07636534 3.99475015 -9.35520249 87.71079659 -71.71820610 Fe 5.78248547 0.50979054 0.01871475 -0.97016564 -0.33110824 -3.49418016 Fe 6.20935311 1.04524550 2.00114475 -0.37652405 -1.08301769 1.22276332 Fe 7.56413860 2.42957765 -0.13579737 -13.84425471 -13.56057093 -10.98493124 Fe 8.67982227 3.56376137 0.86736005 12.60176798 13.31471200 11.88402747 Fe 7.81964364 0.29825864 2.98568119 -24.05460944 -28.16017050 -16.97358565 Fe 8.94092265 1.27545454 3.76617260 45.48862359 11.35905080 4.61423017 Fe 4.91968061 2.62700696 1.94707193 -11.04234828 -3.05482400 -23.58960276 Fe 5.45589851 3.21165048 3.60464577 7.36192470 8.30005394 23.46635248 Fe 0.19056740 4.70676063 0.45558802 -0.63260615 -2.46111947 -0.97783898 Fe 1.49928622 5.79692580 1.73410168 -7.98039172 7.14274387 -4.25753727 Fe 2.49728798 7.21972589 0.09651729 -2.72245978 -3.83551289 -3.34093730 Fe 3.61643991 8.32327578 1.40123177 -66.60747369 45.30163415 -43.05924301 Fe 2.95366604 4.88968876 2.71888199 -18.15646254 -27.29815889 -13.27549119 Fe 4.18297782 5.79320854 3.39174556 34.24538717 24.88704566 17.31709423 Fe 0.34278350 7.83814538 2.63905551 -9.12520791 -15.02466218 -25.64313804 Fe 0.90975672 8.66349090 4.11824152 10.30725574 14.39265148 26.23417331 Fe 5.08009822 5.17874280 -0.22400553 -0.74744610 0.22068732 1.28533030 Fe 6.60365422 6.12475624 1.46651109 -25.51090981 27.91462363 -23.21635732 Fe 6.67119966 8.29253646 -0.21778446 -0.81501355 -0.88338260 1.15202010 Fe 8.57559210 8.55058575 1.17451505 -0.72406419 -0.71879199 0.25464685 Fe 7.58087455 5.09122498 2.35935114 24.71203436 -27.41074891 23.84608780 Fe 8.97462727 6.11272182 3.87984742 -0.16331788 -0.13074775 0.40892048 Fe 4.66448343 7.68403127 2.11226018 69.55207707 -42.89211743 45.95680547 Fe 5.97555741 8.31914392 3.89352680 -36.98178636 12.52969362 -20.81410694 Fe -0.22954640 0.28866239 4.68786656 -9.26620948 -8.83401598 -5.70995321 Fe 1.11803101 1.55239207 5.36469048 -1.00329041 -8.54625973 14.33212276 Fe 2.00297454 2.99791377 4.62151619 55.16988990 -84.84517748 49.16213400 Fe 3.55150311 3.51894432 6.34725891 -13.37535505 -17.56889787 13.92139264 Fe 2.43970136 0.30962604 7.02044147 -4.84390090 1.38548497 2.82746771 Fe 4.08450338 0.75571598 8.58475277 -15.44106722 -20.03934579 12.97415139 Fe -0.00344088 2.96978731 7.51668654 -14.72783834 -11.69693229 -14.23228233 Fe 1.22422232 3.91950201 8.54655608 -15.16948985 -16.13945501 30.63105759 Fe 4.08532250 0.00206044 5.83625574 6.66875030 -5.59927858 9.95867401 Fe 6.48837336 1.00831489 6.43404765 -35.70653269 59.28758884 -31.79974081 Fe 7.84911873 2.25854751 4.84542229 -26.06744550 0.08800239 1.66248348 Fe 8.60556472 3.49425818 6.03735392 8.67740458 13.99248436 13.40281512 Fe 7.20384740 -0.14918067 7.03810700 36.65573418 -58.86674116 31.06180838 Fe 8.63411590 0.94480194 8.75181405 -0.97202244 0.19682313 -0.83240938 Fe 5.09980901 2.00409575 7.77385137 0.70666058 0.80386796 -28.63222221 Fe 5.97078520 3.24032483 8.75401561 13.98235606 20.31931487 14.95827365 Fe 0.09263645 4.62936138 4.65540456 -35.57162559 13.33250703 16.60937114 Fe 0.43781512 6.81416538 5.78912195 0.78213863 -0.30139993 -0.40166495 Fe 2.82350393 7.21827495 4.80335328 -18.17292461 -25.28253832 -24.66931927 Fe 3.63834321 8.28337470 5.87827378 18.48767904 23.88708722 24.43153457 Fe 2.36102597 4.94186987 7.87644269 30.88843875 28.49472204 -19.22263048 Fe 4.65391855 6.03411984 8.38544395 -11.54886456 -18.16491284 18.90846178 Fe 0.04351831 8.23553491 7.63970276 0.28920610 0.03484035 0.01106557 Fe 1.97419286 8.97675809 8.59647343 0.48587067 -0.51361919 -0.67653001 Fe 4.50493887 4.74812168 5.36805486 10.79036872 15.73707434 -13.32794701 Fe 5.89974943 6.22892384 6.12165250 32.24548471 -52.77309344 -62.78040304 Fe 7.34497277 7.80178516 4.71375535 36.20312515 -13.93228721 22.52035957 Fe 8.72557247 8.55011602 6.91154804 -1.22570797 -0.88993007 0.68766335 Fe 7.61642137 4.97690407 7.58223207 -1.41930732 0.64316661 0.05396791 Fe 8.93333148 6.38215830 8.97076095 -0.44470656 0.89329057 -0.80008892 Fe 5.39757659 7.11536967 7.13716159 -18.48840858 71.98144568 42.99190584 Fe 6.59856987 9.06168698 8.85549530 0.55546604 -1.21319755 -1.33411025