108 Lattice="11.39453888978796 0.0 0.0 0.0 11.39453888978796 0.0 0.0 0.0 11.39453888978796" Properties=species:S:1:pos:R:3:forces:R:3 energy=-470.12318667504366 stress="0.001828023132755352 0.00015373437255947358 2.8766264400119365e-05 0.00015373437255947358 -0.00031545953116511756 0.0001972391687263741 2.8766264400119365e-05 0.0001972391687263741 0.00013356062050416933" free_energy=-470.12318667504366 pbc="F F F" V 0.03315818 0.03039912 0.01130035 0.40804733 0.35225206 0.36205277 V 1.89246700 1.88217462 0.00077733 0.01784888 0.05287820 -0.41550645 V 1.93347220 0.00152082 1.87315341 -0.29535379 -0.39270763 0.13738435 V 0.00329374 1.85777602 1.86437815 -0.27225614 0.14670641 0.11370187 V 3.83033506 0.01831216 0.00834536 0.01928955 0.21440997 0.12250163 V 5.73322463 1.91670800 0.03674481 -0.01745778 -0.16032305 -0.62503854 V 5.71512861 0.02752889 1.91231109 -0.10797030 -0.63680315 -0.10854726 V 3.81923903 1.88163836 1.87098174 -0.16865767 0.10594141 0.17935148 V 7.62464821 0.02969179 0.03029218 -0.13072771 0.16639201 0.19479659 V 9.51422764 1.88443578 0.00035941 -0.63740802 0.45128023 0.58816559 V 9.48694780 0.00774673 1.90752444 -0.24184974 0.26564502 0.07057717 V 7.56746690 1.88324784 1.90729814 0.52398676 0.07697671 -0.25701468 V 0.03629553 3.81912053 0.01384833 0.18377848 -0.09898709 0.32041910 V 1.88681538 5.72417685 0.02976267 0.28918701 -0.14934269 -0.52127073 V 1.92465858 3.79204931 1.91004128 -0.21311420 -0.18151206 -0.11948378 V 0.03727034 5.72978452 1.90418228 -0.51035934 -0.05237560 -0.04082276 V 3.81082891 3.76309851 0.01662807 -0.15451841 0.23472872 -0.60490292 V 5.69486882 5.72094527 0.02427044 -0.11306700 -0.12585844 -0.59724150 V 5.70493029 3.79443731 1.87842747 -0.12944643 0.10558416 0.06686952 V 3.78212857 5.68940005 1.86636429 0.22663160 -0.01797608 0.18473725 V 7.56657104 3.80797656 0.03654073 0.49732009 -0.14437744 -0.39723642 V 9.51201214 5.66150759 0.03110761 -0.26318877 0.12645676 0.34109232 V 9.50895133 3.78961158 1.93014777 0.17139528 -0.19120660 -0.09101359 V 7.59945939 5.72341596 1.86504467 0.19898367 -0.09966901 0.19307380 V 0.03318353 7.61062252 0.01110666 0.21840809 0.12593732 0.24313221 V 1.95302612 9.49877222 0.01611472 -0.16561546 -0.39791416 0.40215935 V 1.90360696 7.59796247 1.89711817 -0.15316557 0.18000746 -0.19746189 V 0.02715795 9.49374822 1.93052071 0.41610690 -0.42451053 -0.06256443 V 3.84634140 7.58598221 0.02197264 -0.17775374 0.07058824 -0.47724397 V 5.70323561 9.47044478 0.00505987 -0.08639223 -0.11247830 0.09993741 V 5.70587808 7.63020433 1.92229609 -0.03144129 -0.16819737 0.02405906 V 3.77319957 9.46821226 1.89267940 0.29734265 0.60681212 0.07742646 V 7.57465332 7.55919011 0.01892517 0.62417815 0.41879615 -0.32410871 V 9.47990568 9.52947746 0.01288508 -0.92342253 -0.96723103 0.72216178 V 9.50015228 7.61557814 1.93109668 0.12222344 0.26578354 -0.48564747 V 7.56013184 9.51935006 1.86114770 0.68527269 0.01891208 0.50601481 V 0.02930853 0.01289867 3.82852811 0.30265640 0.25833860 -0.13544664 V 1.87124127 1.87189024 3.81350006 0.03749475 0.15535005 -0.23770311 V 1.91417115 0.01631856 5.70477759 -0.12173720 -0.60189793 -0.05309670 V 0.02616864 1.93606588 5.73249808 -0.52707903 -0.13922826 -0.15049638 V 3.76115875 0.03402965 3.76313996 0.29148258 -0.60001179 0.17415363 V 5.68496497 1.91797350 3.76727302 0.04879340 -0.05595100 0.24369905 V 5.69568820 0.03045981 5.72190888 -0.20743861 -0.52806087 -0.33171358 V 3.77380698 1.88012943 5.65920582 0.21598537 0.20907395 0.11739675 V 7.56877120 0.02905314 3.77637770 0.09993703 -0.52775788 0.16992828 V 9.46431690 1.84950292 3.80035693 0.35065995 0.17127379 0.01979687 V 9.49328718 0.00852797 5.66866384 -0.56228313 0.28556906 0.10929276 V 7.55779766 1.90797237 5.72426974 0.31863358 -0.18594721 -0.26800120 V 0.00969622 3.79929273 3.76114925 -0.24154508 0.01952384 0.20419005 V 1.92593036 5.72936487 3.76687107 -0.20779003 -0.29087041 0.24332986 V 1.93662839 3.78241743 5.72455949 -0.31185466 0.19081163 -0.39808188 V 0.01732728 5.69758770 5.69706335 -0.32009181 -0.19084706 -0.07617753 V 3.82122993 3.79498651 3.80542980 -0.13443931 -0.07665988 -0.15116223 V 5.71638842 5.67456535 3.81861047 -0.13194369 0.11417349 -0.30402220 V 5.70941325 3.79892902 5.71883888 -0.07377810 -0.12862187 -0.07135259 V 3.82271654 5.66486176 5.66136524 -0.26377488 0.31490858 0.36217763 V 7.57358215 3.80886975 3.77405224 0.24830152 -0.03829893 -0.05683338 V 9.49339178 5.73500829 3.79980947 0.44493878 -0.18757859 -0.07392575 V 9.47374913 3.77109488 5.66840244 0.37610413 -0.07205671 0.03477960 V 7.62544711 5.69119766 5.68935504 -0.06630390 -0.16640693 0.16990491 V 0.01718456 7.56884120 3.82502397 -0.33244266 0.21416213 -0.11079236 V 1.93700773 9.48615058 3.75463049 -0.24570991 0.38545929 0.17169819 V 1.92534712 7.61616576 5.70368035 -0.07874389 -0.06949518 0.07596539 V 0.01538834 9.48426621 5.64306000 0.37548039 -0.43480043 0.20014046 V 3.76441187 7.56373508 3.74419382 0.29990723 0.06365772 0.20925306 V 5.70295036 9.46103793 3.81062158 -0.15841530 0.50326163 -0.11677491 V 5.69416519 7.56487999 5.70318481 -0.30129012 0.15238698 -0.04078910 V 3.80416532 9.50858640 5.62950318 0.19151926 0.34673608 0.12019081 V 7.59452803 7.56643367 3.81027850 0.18558787 0.45377164 -0.22884331 V 9.52426312 9.47600169 3.83350709 -0.82070413 -0.29663263 -0.23979523 V 9.48092114 7.58995209 5.67720605 0.49354434 0.15242658 0.10511052 V 7.56419775 9.46424541 5.71182474 0.19595792 0.48467937 -0.18487859 V 0.01918053 0.00880316 7.60185252 0.23542554 0.29754377 -0.06172679 V 1.87981135 1.84257687 7.56603022 0.14046097 0.12950757 0.33136904 V 1.85433543 0.00322279 9.53308722 0.24926410 0.49693440 -0.47634682 V 0.02807691 1.95980755 9.45831294 0.19742122 -0.13764134 -0.22988225 V 3.76826863 0.03760095 7.58475522 0.04079457 -0.52636142 0.52925002 V 5.69586387 1.88921267 7.57325743 -0.27646982 0.20188172 0.48551163 V 5.72046696 0.02165923 9.48544341 -0.26251324 0.36376354 -0.29819060 V 3.76170718 1.92029963 9.49408100 0.22185196 -0.14551539 0.25872693 V 7.57753092 0.01534957 7.62555267 0.41424723 -0.39745529 -0.08301736 V 9.46247062 1.86613344 7.60509989 0.46515385 0.15097652 0.01064797 V 9.47957116 0.03070345 9.53198447 -0.63050967 0.51051207 -0.51313912 V 7.60764391 1.91575839 9.49701063 0.07846051 0.00440874 0.42054358 V 0.01036429 3.77246899 7.57058888 -0.38598270 0.19040086 0.11557414 V 1.87239350 5.69514731 7.61768648 0.19977682 0.12204184 -0.17539622 V 1.91526946 3.76385603 9.48457126 -0.14768585 0.09081113 0.31074589 V 0.01957951 5.69707661 9.44636558 0.10576124 -0.34460377 -0.04034003 V 3.76936819 3.83036251 7.57063111 0.22158148 -0.46104057 0.21248767 V 5.73530430 5.65317995 7.57444855 -0.19340789 0.18302104 0.14636679 V 5.71137198 3.81550281 9.51401482 -0.27621884 -0.20244840 0.24777678 V 3.79985895 5.66038557 9.46978975 -0.08045223 0.20337613 0.42886220 V 7.56807941 3.74122945 7.62183363 0.49218787 0.22873423 0.09723638 V 9.46138224 5.68413920 7.56220956 0.37487754 0.09238430 0.26676879 V 9.52830691 3.81602586 9.49251891 -0.46255520 -0.08286366 -0.41589186 V 7.60814761 5.72526972 9.47094520 0.21481213 -0.16587015 0.43715695 V 0.01939159 7.56421888 7.61809579 -0.24299344 0.96778330 -0.15899534 V 1.92965286 9.51721514 7.56050287 -0.37500177 0.18646010 0.55354547 V 1.86434980 7.59321150 9.46832169 0.48708500 0.47839972 0.34287533 V 0.03747293 9.52030210 9.53106299 0.85351088 -0.83597392 -1.03866302 V 3.79228292 7.63631579 7.60982843 0.19104606 -0.25180200 0.08822418 V 5.70246811 9.51837068 7.58226085 -0.10530992 0.26298399 0.33471951 V 5.70663620 7.56969527 9.49205015 -0.15331369 0.35049189 0.18289267 V 3.81958127 9.53155288 9.52869469 -0.23151383 -0.67550520 -0.50455588 V 7.57128160 7.59169191 7.58029714 0.33081424 0.35191055 0.41567206 V 9.45928615 9.49165956 7.57544125 -0.33619440 -0.35901883 0.02039730 V 9.51745675 7.61618853 9.49905768 -0.53280948 -0.23786079 -0.71600514 V 7.61652179 9.48887560 9.52651715 -0.29805472 -0.58942589 -0.65083145