108 Lattice="11.018073909027803 0.0 0.0 0.0 11.018073909027803 0.0 0.0 0.0 11.018073909027803" Properties=species:S:1:pos:R:3:forces:R:3 energy=-808.3996316984753 stress="-0.007801114405305308 0.0020772328175419717 0.0034454439689114817 0.0020772328175419717 -0.006169039941577834 0.0016732082047217704 0.0034454439689114817 0.0016732082047217704 -0.012007108396385928" free_energy=-808.3996316984753 pbc="F F F" Ni 0.02366919 0.01607247 0.03532018 0.73726087 0.72305431 0.64702727 Ni 1.88189556 1.81054975 0.05060342 -0.07820064 0.19845095 0.01160949 Mo 1.81679782 0.02401835 1.84986039 0.42884633 -0.46183200 -0.52543300 Mo 0.01744213 1.80922697 1.83961493 -0.42202455 0.48116719 -0.44492139 Ni 3.71689254 0.00299018 0.03465595 -0.26938018 0.97062881 1.08298497 Ni 5.48220632 1.78282885 0.00645816 0.23453247 0.43474963 0.70933332 Ni 5.54361363 0.00951685 1.79963527 -0.25368991 0.40005474 0.02724143 Ni 3.64233243 1.86976435 1.83881146 0.21352866 -0.35164963 -0.67769755 Ni 7.35657571 0.01351140 0.02169045 0.03254090 1.05278722 1.03055400 Ni 9.15965882 1.83575024 0.03385197 -0.93291261 -0.02968779 0.95229302 Mo 9.17053437 0.01125061 1.85814577 -1.26116076 0.89314113 -0.37431856 Ni 7.31994525 1.83261159 1.87073481 0.80439125 -0.59105147 -1.17172909 Ni 0.00369696 3.63632190 0.03443313 1.03654923 0.14584327 0.97254349 Mo 1.84787138 5.52341190 0.02388829 -0.81241922 -0.34399161 -0.64797614 Ni 1.83037762 3.70753225 1.84042298 -0.42133977 -0.34576370 -0.63476329 Ni 0.02784649 5.48722412 1.90610930 0.09258727 0.40104009 -0.48537097 Mo 3.70039361 3.67263373 0.01325641 0.49662342 -1.11294822 0.08727989 Ni 5.49232476 5.50443583 0.02300208 0.12046708 -0.32744624 -0.33147009 Ni 5.55943128 3.61867483 1.86412628 -0.37288075 0.20420393 -0.93883599 Mo 3.71989361 5.53787400 1.81541224 -0.68650742 0.07721772 0.34000797 Mo 7.30437231 3.67517400 0.02177148 -0.05601502 -0.62113539 0.23809669 Mo 9.17685521 5.56142283 0.02669628 -0.11675990 -0.36460961 0.53379779 Ni 9.16447140 3.62374743 1.86242974 0.08841113 0.15924686 -0.56660814 Mo 7.34092593 5.50795324 1.84711216 0.36123786 -0.00251419 0.42445156 Mo 0.00625118 7.34292232 0.02708815 0.45924527 0.36693267 1.20115049 Mo 1.82807460 9.17578072 0.00032697 0.33023998 -1.37242904 1.25889682 Ni 1.83440680 7.33859726 1.79159036 -0.44655583 0.80217574 0.11331394 Ni 0.03057586 9.20558498 1.83217726 0.79846707 -1.00120227 -0.20328322 Ni 3.63329347 7.31045730 0.01796026 0.05875384 0.66633651 -0.07505691 Ni 5.55346842 9.17171776 0.01920323 -0.15339399 -0.84234894 0.78278866 Mo 5.49837595 7.34964810 1.88747910 -0.34011857 1.81680921 -0.04154816 Ni 3.69497479 9.19880765 1.81056658 -0.34763697 -0.64587634 0.13895531 Mo 7.32702563 7.31822623 0.00666698 0.46116748 0.68693346 -1.50806829 Mo 9.15467757 9.15485001 0.03086595 -0.81858321 -1.03102763 1.32774268 Ni 9.17594788 7.32646182 1.84867947 -0.20491232 0.66125567 -0.28054604 Ni 7.40318343 9.20712399 1.80203150 0.14039004 -0.34272040 0.18417347 Ni 0.02151697 0.02778440 3.68505297 0.63639299 0.67514239 -0.14190979 Ni 1.80894438 1.86517890 3.68931656 -0.58172763 -0.29514257 -0.38579499 Mo 1.82446387 0.00919275 5.47838939 0.19063263 -1.09614626 0.51680411 Mo 0.05551662 1.81646455 5.52356205 -0.38357630 0.95853977 0.10072591 Mo 3.69107060 0.01517631 3.67551496 -0.73824423 -1.73227985 -1.44484132 Mo 5.50818244 1.82666264 3.66011664 0.38147656 -0.94110258 -2.45234680 Mo 5.49317003 0.00137886 5.54376731 -0.13883083 -2.70278806 -0.38334396 Mo 3.70685285 1.85247023 5.51998422 -2.76460024 -1.38602689 -0.23402102 Ni 7.34259922 0.03812720 3.64259910 0.29860248 -0.09786959 -0.06216844 Mo 9.20392404 1.86771732 3.69713263 1.14099792 -0.64988728 -0.41391571 Ni 9.15304917 0.02607783 5.53071928 -0.35834773 0.48845994 -0.20587104 Mo 7.34295566 1.79982300 5.51753617 2.00060061 0.15256004 0.01036844 Mo 0.00409302 3.68656628 3.63906293 0.30999673 0.26579599 0.14824415 Ni 1.82071187 5.51247188 3.64423458 -0.03166860 0.26497238 0.42796230 Ni 1.83993254 3.67503759 5.52981261 -0.75239444 0.11802660 -0.71673623 Mo 0.00930947 5.53745184 5.51028136 -1.12279271 -0.41143345 0.04739368 Mo 3.65314222 3.69441882 3.66453486 -0.97817390 0.33296541 -0.51366751 Ni 5.48853697 5.53799617 3.70857438 -0.03041548 0.34021413 -0.34909199 Mo 5.47233611 3.66643963 5.49613203 0.88920896 1.60750881 -0.53220051 Ni 3.70464060 5.49044155 5.54486664 -0.44975076 0.49765802 -1.07670226 Mo 7.35734946 3.65194607 3.70260924 1.22147977 0.58016594 -1.71489065 Ni 9.15048936 5.47687769 3.67325857 0.31822232 0.22468757 -0.11350586 Ni 9.19570731 3.68675778 5.52906756 -0.11766154 0.01261309 0.13031998 Mo 7.32184557 5.53963503 5.48761787 1.38944195 -0.25049750 -0.95933397 Mo 0.00743117 7.28239011 3.64809159 0.76952113 0.61115692 -0.28901338 Ni 1.79842269 9.17629938 3.65254042 0.35224220 -0.68147615 0.13531694 Ni 1.82155328 7.32666019 5.49711800 -0.42031844 0.72461989 -0.88817593 Ni 0.02945704 9.15245474 5.48521514 0.72831753 -0.91157249 -0.17029046 Ni 3.64423052 7.31077420 3.64480704 -0.14073473 0.59398282 0.36577116 Ni 5.51353608 9.16846046 3.69173629 -0.08779820 -0.11575741 -0.04288706 Ni 5.51143982 7.33799745 5.50515799 -0.40883453 0.41481481 -0.80847233 Mo 3.69785804 9.19647011 5.51216325 -0.33176925 0.42957003 -1.84738696 Ni 7.34724990 7.33921726 3.64283399 0.27434653 0.55008731 0.31246830 Mo 9.14650489 9.18509328 3.64097008 -0.63333683 -0.82415170 -0.72481995 Mo 9.19928774 7.32338082 5.48332772 1.66905119 0.39552881 -0.49158605 Mo 7.29495749 9.15030695 5.54132066 0.01389102 1.00901341 -1.33133005 Ni 0.01922404 0.00707732 7.30287192 0.90907361 0.62293983 0.33391726 Ni 1.81664211 1.81869718 7.30965439 -0.73298163 -0.78418403 0.89565808 Mo 1.84050672 0.01285361 9.21563376 0.19085715 1.62190876 -1.80553042 Ni 0.02572505 1.88456931 9.14954260 1.09836839 -0.41170643 -0.77028064 Ni 3.68943778 0.02297365 7.32847542 -0.77463297 -0.33853974 0.57942037 Mo 5.55319711 1.83842053 7.33171222 -0.07557066 -0.33891714 1.32583330 Mo 5.50962751 0.03206222 9.15557528 0.07187397 -0.69054102 0.19424071 Mo 3.69799859 1.84003631 9.17612617 -0.59416852 -0.33088994 1.61259485 Mo 7.34251042 0.02394744 7.34641606 1.93731784 -2.94579562 1.20362113 Ni 9.20698953 1.81607810 7.32168895 -0.03331104 0.17097328 0.61980110 Mo 9.14651136 0.02871674 9.19192243 -0.43989739 1.04510747 -0.65140368 Mo 7.36722908 1.83680014 9.19735629 0.44767615 0.50825600 1.20394802 Ni 0.05502958 3.66714990 7.34974214 -0.11525861 -0.08612915 -0.29395204 Mo 1.86907811 5.51745918 7.33654099 -1.22904803 0.30011133 -0.11229516 Mo 1.84914028 3.62991736 9.17951338 -1.64939030 0.03119114 1.40962393 Ni 0.03013558 5.53787370 9.15950370 0.78610052 -0.19376229 -0.66051226 Mo 3.67874892 3.67273767 7.35109983 -1.64146564 0.28158486 0.81950173 Mo 5.48192470 5.56269619 7.35745353 0.56334969 -0.59399600 0.73717826 Ni 5.57608035 3.65811366 9.16313065 -0.14333182 0.14064339 0.62062830 Mo 3.68138297 5.45263515 9.20791087 0.72571587 0.27991530 2.89735367 Ni 7.32442941 3.64043586 7.32654375 1.37918422 0.87200601 0.61537425 Ni 9.15403484 5.53870565 7.33585001 0.12845465 -0.42586568 0.58201405 Mo 9.21025419 3.66051362 9.17383829 -0.69194989 0.40831821 -1.40210578 Mo 7.37658682 5.51116625 9.21410557 -0.06473041 -0.67623935 0.61379285 Ni 0.04979122 7.33519449 7.32899098 -0.13482847 0.29255257 0.06436358 Mo 1.81459095 9.18540579 7.28376977 -0.33612197 0.55678768 0.16786883 Mo 1.80826792 7.31384415 9.21417872 -0.62796151 0.42790372 1.11091692 Ni 0.03287788 9.18710654 9.18778376 0.86979883 -0.86635032 -0.88107936 Mo 3.65694002 7.36029538 7.30790903 0.22687433 0.35292925 0.37850676 Mo 5.48983100 9.19458892 7.36334970 -0.61480057 1.42022115 0.33344889 Ni 5.53812957 7.38353587 9.18188823 -0.05809091 -0.10780125 0.76179724 Ni 3.69735491 9.15206054 9.15697294 -0.44449996 -0.61775716 -0.67851615 Mo 7.36990744 7.38156769 7.31705099 0.48704016 0.46698085 1.40643507 Ni 9.17635021 9.17403464 7.32252109 -0.56631362 -0.52668446 0.07862233 Mo 9.18697907 7.36587837 9.21395207 -0.38797857 -0.35622816 -0.78698921 Mo 7.34588411 9.12691948 9.15572828 0.52045239 -0.01469002 0.41851703