108 Lattice="12.062868401915381 0.0 0.0 0.0 12.062868401915381 0.0 0.0 0.0 12.062868401915381" Properties=species:S:1:pos:R:3:forces:R:3 energy=-468.13477741663036 stress="-0.009468057109970115 0.00015079437545149232 0.00145799658495893 0.00015079437545149232 -0.008586811963493394 -0.0003128591313420385 0.00145799658495893 -0.0003128591313420385 -0.009741093918794942" free_energy=-468.13477741663036 pbc="F F F" Mo 0.00411645 0.01051136 0.02016754 -0.47048562 -0.73727797 -0.64867113 Mo 1.97948995 2.00600398 0.00554764 1.58328318 0.88383282 -1.01651362 Mo 2.03244247 0.00988695 1.98525332 0.39760318 -1.00528059 1.47990721 Mo 0.00204750 1.98080974 1.97233185 -1.12623964 0.89854338 1.63648852 Mo 3.98387560 0.02894951 0.03970405 0.60816374 -0.47627611 -1.05175516 Mo 6.06311709 2.01427400 0.01077052 -0.86021507 1.05553090 -1.02755921 Mo 6.00579664 0.02838626 2.01179929 0.00479420 -1.08747832 0.94706130 Mo 4.06614938 2.01583433 2.04253687 -0.70509226 1.49302866 0.50945131 Mo 8.02827267 0.03473356 0.03027968 -0.38620617 -1.09370205 -0.49229611 Mo 10.04369798 1.97561336 0.01557783 0.46892431 1.33404743 -0.42944059 Mo 10.08843615 0.02141502 2.02489402 0.20413785 -0.77533794 0.40755253 Mo 7.99475235 2.04132144 2.01386955 -0.00578945 0.70451980 0.93561810 Mo 0.01034239 3.99198564 0.02289207 -0.92512747 0.46817728 -0.83858178 Mo 1.97292072 6.04358883 0.00418078 1.66664244 -0.46689447 -0.91235269 Mo 1.98546459 3.99525953 1.99372880 1.87072252 0.53116482 1.64593665 Mo 0.01443057 6.03912911 2.01000511 -0.94665434 -0.55687583 1.31396081 Mo 4.00635446 4.03351736 0.00274394 -0.00327381 -0.41101646 -0.59859971 Mo 5.99450031 6.08022619 0.00964572 0.68418455 -0.68492039 -1.03069929 Mo 6.02393837 4.05093609 1.98207217 0.01138528 -0.40214744 1.04895272 Mo 4.05281634 6.01555978 1.98983287 -0.76040154 0.50997635 1.42896877 Mo 8.04082292 4.05297487 0.00165046 -0.78619540 -0.06415700 -0.61627408 Mo 10.07567954 5.99175315 0.00357503 0.17150393 0.60015063 -0.31603233 Mo 10.03044578 4.04264062 2.03535061 0.45771745 -0.34872068 0.70833042 Mo 8.01858317 6.05529028 2.02361000 -0.31565276 -0.40505159 0.50187924 Mo 0.00623168 8.01426680 0.00875988 -0.92228384 0.01766233 -0.72788433 Mo 2.00466019 10.05502237 0.03885147 0.85398658 0.48810601 -0.77645559 Mo 2.00826467 7.99977975 1.98545073 1.35584462 0.03510453 1.69539082 Mo 0.01817208 10.07783166 2.00005465 -0.50633105 0.07156492 1.11111127 Mo 4.05144547 8.07085053 0.00158461 -0.81933131 -1.08806223 -0.75249436 Mo 6.00772588 10.06437367 0.00041486 0.38331405 0.85934192 -0.55474620 Mo 6.07106973 8.05912852 1.98035499 -0.66907448 -1.03649394 2.20177905 Mo 4.04892349 10.01884329 2.02231374 -0.70237355 0.63112893 0.77607290 Mo 8.02114192 8.07073362 0.01727594 -0.19758068 -1.24062407 -1.35073101 Mo 10.01570731 10.07497156 0.02237039 0.67628997 0.33700113 -0.62287571 Mo 10.01373102 8.04412752 2.00498528 1.12716239 -1.20196133 0.60465115 Mo 8.07374623 10.07846676 1.99407514 -1.61596932 0.90403192 1.10896584 Mo 0.00263431 0.02831614 4.03769122 -0.46650699 -0.69782432 -0.19858009 Mo 2.01478848 1.97372596 3.99596904 1.37607678 1.89559948 0.25560346 Mo 2.04438763 0.02006449 6.01937065 -0.25078631 -0.71929865 0.34873699 Mo 0.01589523 2.03178144 6.02507575 -0.68035668 0.33319464 0.59848177 Mo 4.00889935 0.00835730 4.05329641 0.26214100 -0.71176929 -0.73520061 Mo 6.03972905 2.01597919 4.04383434 -0.69827147 1.29252666 -0.41020023 Mo 6.00250569 0.04007840 5.99091343 0.92015266 -1.10014555 0.62851901 Mo 4.03258289 1.99686518 6.05791100 -0.39618258 2.25015481 -0.71566564 Mo 8.02056327 0.01272886 3.98453733 -0.53740272 -0.85618442 0.25062394 Mo 10.03846656 1.97923206 3.99837207 0.47591840 1.72120009 0.27084902 Mo 10.04247795 0.02748336 6.02024685 0.33428072 -0.54652278 0.06197756 Mo 8.03118993 2.02837176 6.00233537 -0.75505611 0.53735875 0.59999534 Mo 0.02895820 3.98135323 4.02738878 -0.51905989 0.64556250 -0.41193474 Mo 2.04070428 6.05049145 4.03360486 0.59314151 -1.02241033 0.14500341 Mo 1.99645773 3.98306279 6.05275805 2.17907604 0.65374588 -0.41885489 Mo 0.01708439 5.99195015 6.06521534 -0.33576541 0.36889765 -0.53642685 Mo 4.05504522 4.04973199 4.02501545 -0.70410381 -0.41179882 0.48138246 Mo 6.07039206 6.00256429 4.01264988 -1.03742394 1.01077227 0.40124869 Mo 6.04129220 4.01213663 6.06228245 -0.41247075 0.23394239 -0.36021007 Mo 4.05080188 6.06548588 6.07006309 -0.22039614 -1.27133042 -0.73367206 Mo 7.97751311 4.01473031 4.00653865 0.55131789 0.21149066 0.46575469 Mo 10.04201805 6.03284753 4.05135738 0.29334914 -0.67960868 -0.59964814 Mo 10.04698506 4.00294056 6.06688363 0.06114743 0.21605063 -0.69236412 Mo 8.02273079 6.04968924 6.02069589 -0.82725048 -0.72837592 0.44528851 Mo 0.02587679 8.02657973 4.05347757 -0.50262921 -0.48142191 -0.20652638 Mo 2.04269607 10.05218523 4.04473105 0.43465696 0.20791730 -0.49065418 Mo 2.02871190 8.04037528 6.06853437 0.81148334 -0.87966578 -0.46696133 Mo 0.00292223 10.06775061 6.02244812 -0.55722669 0.42086625 -0.19676413 Mo 4.02000248 8.00199868 4.03964865 0.61977157 -0.55828257 -0.67446370 Mo 6.01352121 10.07333734 3.98060616 0.55506209 0.01715275 0.61520817 Mo 6.00121187 8.04079248 6.05599084 0.72599674 -0.85881823 -0.44649374 Mo 4.04100747 10.04329918 6.01307134 -0.29513540 0.42350274 0.32270719 Mo 8.04715482 8.04716346 4.03359811 -1.74586443 -0.81922614 -0.22038732 Mo 10.03109047 10.02164507 3.99781035 0.81559716 0.71016051 0.46691786 Mo 10.06157204 7.97596394 6.00049014 0.66619412 0.30227565 0.90037876 Mo 8.04153065 10.01670059 6.03346718 -0.79915224 0.56065321 -0.05103108 Mo 0.00760828 0.03343007 8.05629341 -0.58469421 -0.77141041 -1.19607288 Mo 2.03256747 2.01233989 8.07279092 0.79222391 1.41892009 -1.70168152 Mo 2.01196308 0.02098263 10.02548397 0.95699839 -1.02663747 0.87957849 Mo 0.03660816 2.01222536 10.02845440 -0.97207304 0.89537418 1.02110408 Mo 4.01155717 0.00089917 7.99096934 0.24646025 -1.00117319 0.27029424 Mo 6.00100705 1.98684354 8.05162016 0.56697279 1.39661886 -1.01354959 Mo 6.05000065 0.01510623 10.01958691 -0.50496295 -0.58483115 0.74562233 Mo 4.00527538 2.03741889 10.04505589 0.33536755 0.58450063 0.75767294 Mo 8.05019343 0.02465701 8.05447508 -1.04959383 -0.86298621 -1.49025853 Mo 10.02543300 2.01294648 8.06531125 1.05115671 0.89802229 -0.97985939 Mo 10.03676594 0.01791526 10.04727996 0.52438205 -0.55102855 0.51172450 Mo 8.06057864 2.01280705 10.06343511 -0.89127454 0.94517718 1.03497917 Mo 0.01392003 4.05269830 8.06604232 -0.81195147 -0.63124152 -0.95177405 Mo 2.04940616 6.02378638 8.05191183 0.23316732 -0.33747480 -1.51428917 Mo 1.98771076 4.05813675 10.05062589 1.23091283 -0.44896624 0.82388958 Mo 0.01081989 6.03260629 10.04078938 -0.83236324 0.30193097 0.57184171 Mo 4.05486368 4.05321828 8.05256341 -0.38163275 -0.51498009 -1.00801216 Mo 6.06341171 6.01124382 8.05503728 -0.15392836 0.24196139 -0.78259791 Mo 6.07069221 4.01437515 10.06709973 -0.74513416 0.05798641 0.64579307 Mo 3.99689252 6.02336993 10.05948607 0.70211506 -0.42727301 0.86143437 Mo 8.01074023 3.99118005 8.06412462 -0.29200958 0.30794562 -1.28940955 Mo 10.02364697 6.01099344 8.06405550 0.63605966 0.12158453 -1.16400358 Mo 10.08767217 4.05610640 10.06073021 0.38875610 -0.57444278 0.44939724 Mo 8.07204272 6.00062604 10.08414654 -1.04054147 0.49488419 0.67149909 Mo 0.03552379 8.05203196 8.02448396 -1.20999159 -0.98295321 -0.63826455 Mo 1.97639997 10.08418260 8.01763525 1.70832932 0.60612359 -0.61126456 Mo 2.00287672 8.00684070 10.01648305 0.78243700 0.02641353 1.13902797 Mo 0.03719382 10.06355659 10.03858307 -0.36414672 0.19891453 0.43158838 Mo 4.01368646 8.00269982 8.06943742 0.25376218 0.36554415 -1.15787370 Mo 6.00000502 10.08219310 8.01755170 0.38616902 0.11873543 0.09172529 Mo 6.00266936 8.00216866 10.03530221 0.49004957 0.05007948 0.69102786 Mo 3.98265810 10.06716387 10.05602584 0.09973355 0.10889969 0.17573792 Mo 8.05247688 8.02997037 8.07085117 -1.26421322 -0.53782847 -1.26025801 Mo 10.05610390 10.05900738 8.03342198 0.50118377 0.35090848 -0.94511946 Mo 10.05979350 8.07101081 10.03518648 0.71617228 -0.94750503 0.73831336 Mo 8.06987848 10.06863518 10.07328128 -1.23960297 0.29923056 0.20128375