108 Lattice="10.944203984623229 0.0 0.0 0.0 10.944203984623229 0.0 0.0 0.0 10.944203984623229" Properties=species:S:1:pos:R:3:forces:R:3 energy=-808.8696159714739 stress="-0.009811313144205634 -0.010853355465118819 -0.0034328846323710073 -0.010853355465118819 -0.0063740324548564094 -3.92214873652312e-05 -0.0034328846323710073 -3.92214873652312e-05 -0.006526072901634601" free_energy=-808.8696159714739 pbc="F F F" Mo 0.01305412 0.01143436 0.00204250 0.39875941 0.40748803 0.32868739 Mo 1.85826842 1.83741742 0.02281556 -0.74117734 0.65949774 -2.58977926 Mo 1.79909058 0.00247474 1.80653178 -0.51270630 -2.31173995 -0.63892358 Mo 0.00669198 1.82089097 1.78652452 -1.12034331 -0.03922197 0.02259766 Ni 3.67576819 0.00937474 0.00224787 -0.18435152 0.34947497 0.59839982 Ni 5.46130837 1.81387834 0.01797711 0.11613477 -0.01322389 0.20007871 Mo 5.45789013 0.00125636 1.83909387 0.87142727 -0.54695114 -0.52980250 Mo 3.61109034 1.80286866 1.83262133 -0.12268896 0.60481827 -0.51028758 Ni 7.33455956 0.00491832 0.02145488 0.05210654 0.69483220 0.76686686 Mo 9.12822089 1.79726924 0.00644602 -0.82926239 -0.02191270 0.61359512 Mo 9.11893980 0.00967986 1.78080164 -1.05788820 0.99109081 0.44056491 Ni 7.30957108 1.81430351 1.86020196 0.53374587 -1.13195886 -1.58349088 Ni 0.00475237 3.64927022 0.01352739 0.89654822 0.15592188 0.66487999 Mo 1.83188488 5.48484767 0.01180393 0.20846147 -0.40939663 0.82741098 Ni 1.84523847 3.63246973 1.84805433 -0.32474868 1.17453622 -0.50588870 Ni 0.02543922 5.50234687 1.79778460 0.48174024 -0.15869164 0.43138277 Ni 3.66208359 3.63563483 0.01994781 -0.34222704 0.67060897 -0.33579234 Ni 5.47292881 5.49988844 0.03452734 -0.33487895 0.20035884 -0.07419890 Mo 5.48836906 3.62076265 1.80045316 -1.11156913 1.15742540 -1.74156649 Ni 3.68306215 5.45564722 1.83861320 -0.49606814 0.48811188 -0.18650757 Ni 7.28381022 3.64979354 0.03119564 0.37236326 -0.42376604 -0.53621258 Mo 9.09167019 5.51769523 0.01803619 0.09748974 0.06803663 -0.17714104 Mo 9.15283248 3.64008471 1.81617040 1.66390969 -0.46423480 -1.34825543 Mo 7.30906702 5.45495883 1.78971033 -0.30280722 1.80243318 -1.41999466 Ni 0.02482594 7.29504528 0.02597505 1.03706634 0.17186740 0.65182444 Mo 1.83480314 9.11790027 0.02753211 0.19603207 -1.47655949 1.27734313 Ni 1.78897306 7.31898985 1.85701712 0.18644433 0.13362472 -0.37109284 Ni 0.03442905 9.10788341 1.85635927 0.88957921 -0.74571585 -0.04469537 Ni 3.63758285 7.23557330 0.00133655 -0.17055899 0.48447895 0.71566025 Ni 5.49788563 9.10913540 0.02405829 -0.21291527 -1.01941557 0.85323687 Ni 5.47916504 7.30630666 1.84313144 -0.61314463 0.31104522 -0.71919977 Ni 3.64797518 9.08868552 1.82414031 -0.07546498 -0.62719285 -0.09440517 Ni 7.34634454 7.30136181 0.00443526 -0.21365616 0.38288164 0.21932286 Ni 9.11900113 9.13421394 0.03217511 -0.86677579 -0.95859981 0.96780126 Ni 9.13928491 7.30387022 1.80893862 0.28975394 0.44991184 -0.26424935 Mo 7.29577786 9.11677324 1.85432682 0.08975135 0.45088092 -0.84726175 Mo 0.04423539 0.03545684 3.61290607 0.03731061 0.05659121 0.54908226 Ni 1.77284684 1.84569485 3.64644133 0.00850862 -0.22039272 0.38492028 Ni 1.82002050 0.02339873 5.47247265 -0.05303206 -0.39461476 -0.33262981 Mo 0.01094255 1.80112840 5.46359489 -0.84642986 0.53490250 -0.34797285 Mo 3.67726827 0.00518342 3.63863324 -1.25956115 -2.81695588 0.37348381 Mo 5.48983338 1.83547877 3.63997239 0.88625694 -0.53513078 0.58725530 Mo 5.44020139 0.01270835 5.47019277 0.45928078 -1.65796162 0.53551274 Mo 3.65395612 1.83118454 5.44524052 -0.34535004 1.25359822 0.64194763 Ni 7.35787237 0.04780942 3.67032915 -0.24038240 -0.30552004 -0.44251058 Mo 9.09304092 1.85622557 3.67179815 1.05594109 -0.15053598 0.44947970 Mo 9.10271269 0.03352303 5.44254632 -0.24270476 -0.28212676 0.43237975 Ni 7.26750098 1.76755685 5.50075476 0.56402096 0.24757424 0.09436723 Mo 0.02566608 3.64117301 3.65282368 -0.34607914 0.81245020 -0.69962420 Ni 1.83887005 5.51918498 3.65479891 0.09132703 -0.34859212 -0.68705099 Ni 1.79881934 3.62333357 5.46134894 0.18959154 0.32031887 -0.31934568 Mo 0.03001292 5.49212766 5.48592056 -2.25119407 -0.96394878 -0.97916370 Ni 3.65531876 3.67837181 3.61295291 -0.25178312 0.52704283 0.33103168 Ni 5.48569702 5.46147148 3.61212760 -0.79432254 0.20532683 0.31538635 Ni 5.43949733 3.65117066 5.48494576 0.25439197 0.22786664 0.36872128 Ni 3.65098507 5.45909830 5.48174735 0.18538399 -0.33834106 -0.45267880 Mo 7.27587899 3.62739119 3.61908206 0.69252503 1.14808740 2.54764639 Mo 9.13393311 5.45818240 3.62456732 1.90979515 0.27359557 1.27102067 Ni 9.11040659 3.70275924 5.53608688 -0.01002123 -0.51238226 -0.30110196 Ni 7.33635090 5.48870554 5.45607116 0.12590612 -0.43003816 0.38815329 Ni 0.00866470 7.30811731 3.65278803 0.28421577 -0.00113025 -0.11891985 Ni 1.81512770 9.15498378 3.64209991 0.01898099 -0.49285773 -0.14224036 Mo 1.83294747 7.27094884 5.46920840 0.73828932 0.59026351 -2.20790674 Mo 0.02333666 9.12466285 5.47773201 0.65578755 -0.53007988 -0.30742782 Ni 3.67622248 7.27157084 3.65495024 -0.13085882 0.08850983 -0.83455609 Ni 5.45799952 9.10197792 3.62868042 -0.24340252 0.00205397 -0.26797415 Mo 5.50004106 7.28712732 5.47344466 -0.97417441 -0.37149996 -0.38277751 Mo 3.62332914 9.09948019 5.45694534 0.37913254 2.02579675 -1.31064126 Mo 7.31415634 7.26095529 3.62119055 -0.17889455 0.72899372 0.39359220 Mo 9.12350402 9.11399152 3.66980625 -0.31783301 -0.72609043 0.28966484 Ni 9.10091616 7.27601646 5.44573525 0.17054514 0.47960441 0.39056921 Ni 7.27483998 9.08854517 5.46095528 0.62063268 0.28631104 0.19377689 Mo 0.04875712 0.00952313 7.28058874 0.10395333 -0.50974633 0.15403761 Mo 1.79049001 1.85198779 7.31358720 0.86914742 -0.70817618 0.66818042 Ni 1.85463910 0.01791439 9.13173464 -0.33904012 0.74499162 -0.72859186 Mo 0.00607299 1.79288199 9.11880145 -0.53065441 -0.50255917 -0.04407469 Ni 3.66161645 0.02674961 7.26718980 0.04305127 0.18263325 0.24989909 Ni 5.45164167 1.83588501 7.26734239 -0.31253151 0.18798226 0.67538910 Ni 5.45445577 0.02970407 9.12069744 0.05759809 0.86731363 -0.88597374 Ni 3.61349771 1.79117917 9.13227887 0.34622148 0.45615283 -0.62998402 Mo 7.28716413 0.03455823 7.29099610 0.39277678 -1.22426019 1.03588862 Mo 9.14429008 1.81093763 7.29497471 0.67575158 0.87772263 -0.57421679 Mo 9.11455623 0.03555390 9.10389238 -0.52518018 0.69973696 -0.61423172 Mo 7.30562749 1.83066139 9.12929533 -0.57169434 0.72389136 0.71010084 Ni 0.03069407 3.63014590 7.31909890 -0.51892044 0.02483032 -0.15938238 Mo 1.79029983 5.48318937 7.29745134 1.29667164 -1.40932370 0.53372227 Mo 1.77644548 3.64112263 9.15565325 0.16518049 -0.39115521 1.61593350 Ni 0.01425241 5.44671291 9.10142018 0.50946709 -0.11333243 -0.43047444 Ni 3.63505213 3.65984897 7.29498974 0.33425919 -0.26193622 0.35565272 Mo 5.48503918 5.45167448 7.29806039 -0.15269629 -1.01942510 -0.47982240 Ni 5.46592227 3.63755147 9.15002586 0.04218729 -0.11695773 -0.34753985 Mo 3.66023512 5.44373012 9.14464403 0.38645774 0.30393201 1.27302966 Ni 7.29689864 3.65243356 7.27513639 0.19263133 -0.07901631 0.45949796 Mo 9.13384469 5.48474270 7.27469055 -0.21648910 -0.31672665 -0.74863405 Ni 9.12008517 3.64531334 9.13261687 -0.60078968 0.05932462 -0.72400074 Mo 7.34761935 5.48700663 9.13392719 -0.31984142 -0.86948716 0.68471922 Mo 0.03579424 7.29141738 7.30974335 -2.63038991 1.03753026 1.17072192 Mo 1.81172245 9.13281342 7.26606188 0.36264500 1.13889192 1.24739323 Ni 1.79302149 7.27560820 9.11873553 0.30098588 0.32032058 0.16380539 Mo 0.01382326 9.15519879 9.11539177 0.63588381 -0.55737682 -0.08055821 Ni 3.64800352 7.31597296 7.27972674 0.09967259 0.31067599 0.83134572 Mo 5.49940879 9.12721165 7.29450648 -0.47897768 0.96363161 -0.26484281 Mo 5.46397546 7.34009581 9.12997588 -0.09559679 -0.09643319 0.79695287 Ni 3.68717617 9.13614273 9.14880143 -0.09386614 -0.78192489 -1.11581917 Ni 7.29433274 7.30218592 7.28173584 1.04931089 0.31689819 0.50259943 Mo 9.10138996 9.10943459 7.29195747 -0.95483519 -1.24571485 -0.80798600 Mo 9.14233257 7.30694312 9.14940679 -0.27611466 0.21855675 -0.59240064 Mo 7.30497658 9.06143713 9.06938640 1.16388409 0.57710228 0.63528754