256 Lattice="14.758846630217885 0.0 0.0 0.0 14.758846630217885 0.0 0.0 0.0 14.758846630217885" Properties=species:S:1:pos:R:3:forces:R:3 energy=-1952.2451214075083 stress="-0.007308346090028122 0.0013883412106161265 0.000566702446855783 0.0013883412106161265 -0.008587498853363702 -0.003167918552405858 0.000566702446855783 -0.003167918552405858 -0.009193828554445284" free_energy=-1952.2451214075083 pbc="F F F" Ni 0.03684916 0.00142484 0.02578008 0.92530837 0.87464074 0.85151808 Mo 1.79892746 1.85042196 0.02460583 0.18757626 0.60505046 0.56200373 Ni 1.83984306 0.00115239 1.84114616 0.09571164 0.75783162 0.06466384 Ni 0.02814860 1.81720696 1.84367755 0.64553184 0.08016809 0.20263685 Mo 3.68107051 0.06208405 0.00987185 -0.51082454 0.11037709 0.31080318 Mo 5.49932353 1.85484494 0.01708156 0.42768834 0.78981157 0.49453232 Mo 5.50906475 0.01666761 1.81253188 0.48389598 -0.32383795 0.49173242 Ni 3.69992012 1.86365339 1.82086673 -0.56691768 -0.36363124 -0.11629033 Ni 7.42405173 0.03560437 0.02343350 -0.37996095 0.92584510 0.89841922 Ni 9.19062305 1.82017947 0.01476864 0.15361874 -0.04228061 0.56028453 Ni 9.20813743 0.02732736 1.81448587 0.19688225 0.78583218 0.41057160 Ni 7.38242585 1.83285336 1.86694653 0.09730555 -0.32571687 -0.58076653 Ni 11.07709737 0.00711032 0.03337333 0.02420556 1.05986592 1.26569432 Ni 12.88857929 1.82954147 0.01340477 -0.83454790 -0.01451023 1.02183833 Mo 12.89333242 0.03572798 1.86921685 -1.01591978 1.25971879 -0.23958748 Ni 11.05130953 1.84741377 1.86180006 0.51925701 -1.12033339 -0.53753587 Ni 0.01928449 3.76078666 0.03225164 0.74824499 -0.16608050 0.57738080 Mo 1.87331128 5.50883753 0.02480438 0.69239778 -0.43186953 0.07536469 Ni 1.81384467 3.66282189 1.81108684 -0.18004753 -0.24099391 -0.07483923 Mo 0.03030598 5.57270831 1.80919012 -0.86767836 -0.12608386 0.29895861 Ni 3.68658165 3.65437808 0.02560467 -0.16001192 0.25431843 0.33016270 Mo 5.54423909 5.53699334 0.00340825 -0.60035891 -1.07937476 0.61643810 Ni 5.51081422 3.68236907 1.87181294 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0.22448581 0.46438034 0.74753845 Ni 5.52964927 9.25367728 0.04390339 -0.28262549 -0.45240594 -0.27005859 Ni 5.53451391 7.40932980 1.86051564 -0.47514236 -0.47505985 -0.93726718 Ni 3.69109684 9.24511591 1.83939133 -0.35638607 -0.36284715 -0.38038055 Mo 7.39068449 7.34537509 0.02007753 -0.50654192 0.03778553 -0.83951770 Ni 9.26454922 9.22405665 0.03509221 -0.02736609 0.00093837 0.16209119 Mo 9.22373945 7.36097301 1.85994714 1.77555716 0.36502302 -2.04201271 Mo 7.36434858 9.20034441 1.80939681 0.58887286 1.55515246 -1.41990279 Ni 11.11452621 7.36243354 0.01320602 0.15790680 0.37746206 0.22284293 Mo 12.87818968 9.23651640 0.02038018 -0.78500638 -1.16805090 0.58672349 Ni 12.93299267 7.40329656 1.82552043 -0.73270541 0.06011302 0.02806149 Ni 11.07187456 9.23462545 1.85484411 0.27086937 -0.25521306 -0.26789555 Mo 0.00454932 11.09866480 0.01596488 0.54319890 -0.38279513 0.54144266 Mo 1.87054892 12.92281580 0.00769532 0.04044448 -0.46795764 0.34229557 Mo 1.81489837 11.06963403 1.86783475 1.28322445 -0.55469321 -0.65431690 Ni 0.01061897 12.88995114 1.86794259 0.74053202 -0.58463367 -0.33707549 Ni 3.66567116 11.07557469 0.01015397 -0.00049618 0.06280369 -0.11891288 Mo 5.53268051 12.91400961 0.01346292 -0.07655617 -0.49229778 0.10631513 Mo 5.50715667 11.04472977 1.86699926 -0.85688211 0.94088203 -1.08187926 Mo 3.73877423 12.94599489 1.80102617 0.06991479 1.42116715 0.11044227 Ni 7.34615339 11.05096855 0.05792633 0.41488700 0.23051983 -0.11926470 Ni 9.19855204 12.89763201 0.00369232 -0.01083536 -0.82144030 0.93191655 Ni 9.23603867 11.03951058 1.88913194 -0.13321035 0.61099919 -0.48040562 Mo 7.34613849 12.89522298 1.81257852 0.94395291 -0.18966446 0.11445125 Mo 11.07100051 11.07698787 0.05527799 -0.73212447 0.27319741 -0.11551260 Ni 12.90934837 12.94911202 0.03531504 -1.05727705 -1.14480435 1.07854521 Mo 12.86177410 11.09120234 1.81663525 0.44017166 -0.02157029 0.44175787 Ni 11.00122588 12.94014533 1.86142944 0.14263853 -0.35837610 0.15560036 Ni 0.02539076 0.00074256 3.66557834 1.14008663 1.02538787 0.14758655 Ni 1.86131583 1.89512182 3.70417891 -0.46693283 -0.43373569 -0.40660279 Mo 1.84412954 0.01399237 5.56756316 0.47742761 -0.27050642 -1.63293307 Ni 0.00303234 1.87571728 5.54557708 0.17915246 -0.16019405 -0.26584104 Ni 3.68728110 0.00372259 3.66268106 -0.11104605 0.43740870 0.09047836 Mo 5.52772494 1.87183963 3.69887635 -0.84244568 -0.74532883 -0.85405648 Mo 5.49855718 0.03067058 5.54897996 -0.61432947 -0.56106512 0.00360613 Ni 3.64497858 1.86708368 5.46739274 0.22929803 -0.29940269 0.19145171 Ni 7.38480644 0.01220719 3.67356196 -0.06530724 0.21640215 0.15554295 Ni 9.20808424 1.83958574 3.72052087 0.23246728 -0.42687706 -0.59172542 Mo 9.19958111 0.02563511 5.56531616 0.30756112 -1.35664689 -0.56322989 Mo 7.40983315 1.85914821 5.53722412 -0.61166055 0.57164676 0.23030140 Mo 11.03668949 0.00436319 3.72459349 0.51706809 0.35425064 -0.96387467 Ni 12.94865859 1.81515619 3.66346577 -0.34912941 -0.42298434 0.07463666 Mo 12.90747395 0.02066913 5.50479038 -1.35925993 1.32325622 0.16463768 Ni 11.04060212 1.84738797 5.51301906 0.86189062 -0.16957340 0.24503583 Ni 0.01902513 3.70484815 3.68134515 0.35306664 -0.24577341 -0.08668248 Mo 1.80802363 5.55782850 3.69311780 -0.89176265 -0.29250495 -1.07130023 Ni 1.84234890 3.67444530 5.51574584 -0.72403161 -0.16666353 0.24119836 Mo 0.01497176 5.51565818 5.53737316 -0.16586328 0.05630407 -0.34757047 Mo 3.63843277 3.72027682 3.69006235 0.48535252 -0.84958063 -0.65933793 Ni 5.52906637 5.54193528 3.66626086 -0.23545665 -0.44900889 0.07081144 Ni 5.57358135 3.72114719 5.59047591 -0.40216831 -0.42923679 -0.25802836 Mo 3.65683590 5.50920479 5.53129487 -0.38471323 0.05613438 0.74463841 Mo 7.38447585 3.75232195 3.72295693 -1.03092735 -0.46678341 -1.22915416 Mo 9.20626530 5.55729862 3.68157864 0.72527215 0.29992425 0.60093847 Ni 9.23506162 3.64268683 5.53792305 0.35223115 0.19936848 0.45338841 Mo 7.38226345 5.55522088 5.54817110 0.69409718 -1.14199431 1.54889736 Mo 11.07602604 3.69951601 3.65398734 0.33565244 -2.37079752 1.36229390 Ni 12.91636468 5.51318873 3.69270754 -0.09242387 0.49850728 0.06191204 Ni 12.90049566 3.70888948 5.48367552 -0.19144154 -0.45488873 0.34715302 Mo 11.09494489 5.51909116 5.54953048 -0.83327391 -0.38619146 -0.41194432 Ni 0.01235735 7.38769054 3.65574397 0.20048287 0.08613316 0.26282204 Ni 1.81965870 9.17829049 3.66760474 0.18116500 0.12217134 0.41614918 Ni 1.84679440 7.37984508 5.51748503 -0.41854988 0.50460821 0.05019117 Ni 0.02556829 9.18965463 5.52824343 0.17781972 0.25255415 -0.13280702 Mo 3.70827848 7.40623245 3.67947851 -1.13776463 0.36768170 -1.42012702 Mo 5.56310337 9.25025039 3.70512444 -1.75165331 0.91949165 -0.57444434 Mo 5.55948250 7.41182971 5.49976262 -1.52342161 -0.62625262 1.51337413 Ni 3.71756075 9.18896949 5.56127043 -1.21023644 0.69735468 -0.28908631 Mo 7.34999383 7.41130864 3.66935533 -0.31733065 -1.83737923 -1.21295559 Mo 9.19602768 9.19987895 3.69502712 1.53252649 1.46985168 -0.77381602 Ni 9.21892880 7.34497369 5.51969696 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