256 Lattice="14.789801934200456 0.0 0.0 0.0 14.789801934200456 0.0 0.0 0.0 14.789801934200456" Properties=species:S:1:pos:R:3:forces:R:3 energy=-1950.5875661480468 stress="-0.005017294024747882 0.0032370920164074193 0.0013984144187371157 0.0032370920164074193 -0.008003087174640693 0.0013262790256369959 0.0013984144187371157 0.0013262790256369959 -0.007189317915345819" free_energy=-1950.5875661480468 pbc="F F F" Ni 0.01283201 0.03112243 0.00400287 0.97351646 0.92244557 0.96179108 Ni 1.89427675 1.81599259 0.03049391 -0.31006503 0.02132605 -0.24750801 Mo 1.87358198 0.01087708 1.84583987 -1.26678674 -0.94249619 -0.53907675 Ni 0.06102584 1.87674020 1.84307056 -0.28441427 -0.41574973 -0.38032402 Mo 3.74427505 0.01002458 0.03806772 -0.17998003 0.16268764 -0.16329522 Mo 5.51934037 1.88034093 0.00441760 1.62689241 -0.22390944 -0.76156878 Mo 5.57021975 0.02240014 1.79374268 1.26413222 -1.57846196 -0.06717688 Mo 3.68524002 1.82816984 1.88027817 0.55162416 -0.38430206 -1.64758861 Ni 7.42597108 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1.01367841 0.07250496 -0.55285356 Mo 5.57333480 9.22643937 0.03270188 -0.38324031 1.36787914 0.57005150 Ni 5.55651007 7.42621412 1.84799285 0.03221641 0.23370833 -0.18326125 Ni 3.66424442 9.27989830 1.88329742 0.40187941 -0.35752065 -0.62986756 Mo 7.36884020 7.39668052 0.03190631 -0.62189952 0.72212126 -1.02031817 Mo 9.19978832 9.27605176 0.00387194 0.21977075 -1.29974411 0.05645595 Ni 9.22243103 7.40769472 1.83464902 0.38088164 0.68667443 -0.00185286 Ni 7.35502731 9.29082328 1.83148433 0.29685650 -0.44294718 0.07727302 Ni 11.13740106 7.39341486 0.02891852 -0.20922422 0.55588751 0.28808158 Mo 12.95806725 9.27424159 0.02899163 -1.02610026 -0.74985256 1.19725871 Ni 12.97775458 7.37817843 1.79933723 -0.48053210 0.44739286 0.42553738 Ni 11.13201698 9.24798979 1.81983902 -0.05678835 -0.51153214 0.18001904 Mo 0.01220687 11.09529120 0.01932054 0.16980008 0.63362802 0.20571107 Ni 1.83974546 12.92122907 0.03314051 -0.08255996 -0.71966396 0.66892642 Mo 1.86795416 11.08791923 1.87475937 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0.99682599 0.63440778 0.01967027 Mo 1.81218790 1.86438080 3.72445396 -1.79892363 -1.97789650 0.25474256 Mo 1.86707884 0.00813926 5.54747211 -0.42824157 -0.87069288 0.75862585 Ni 0.01182545 1.84769044 5.54451503 -0.04551056 -0.36237342 0.57526939 Mo 3.69512939 0.00994062 3.72504809 0.09070717 -3.37361404 -0.70460818 Mo 5.57160690 1.84170128 3.73378700 0.56972063 0.10333000 -0.96306753 Mo 5.52461579 0.01686802 5.53152876 0.49806500 -1.85974066 1.33313514 Mo 3.69945780 1.85920474 5.57023878 0.83542018 -1.00596796 1.76197318 Ni 7.34877839 0.04243123 3.69742905 0.45039087 -0.13198936 -0.37244234 Ni 9.22561407 1.82875988 3.73761408 -0.19312136 -0.52202920 -0.27902215 Ni 9.23197213 0.00432395 5.50003485 0.08308806 0.40989893 0.29791487 Mo 7.38653974 1.82751626 5.57088120 1.77341506 -0.49117165 1.10188580 Ni 11.07460611 0.06967354 3.71833887 0.08477266 0.05863061 -0.26636252 Mo 12.91623971 1.86210748 3.72202107 0.95935295 -0.56057307 -1.02612639 Ni 12.93813945 0.02612586 5.58372374 -0.59937311 0.51317212 -0.07240910 Mo 11.12222282 1.81262183 5.53037002 -1.00964440 -0.51457167 0.26771691 Mo 0.03674042 3.68298369 3.74814291 -2.91005282 0.14148732 -0.61968234 Ni 1.81190825 5.55367867 3.66769805 -0.24897094 0.20381179 0.18743654 Mo 1.83541208 3.66556626 5.51484926 -0.61900461 1.85844348 1.94640943 Mo 0.01787424 5.57910575 5.57418020 -1.61240214 -0.33382664 0.29417398 Mo 3.71493019 3.68018531 3.69940236 1.11846998 2.54300234 1.20811956 Ni 5.61566679 5.60686761 3.73703270 -0.25789789 -0.58378790 -0.32308869 Ni 5.55487450 3.73286446 5.55259462 0.09400815 0.42191314 0.45548798 Ni 3.67768401 5.54298164 5.57532697 0.29679918 0.12630561 -0.18927089 Mo 7.37557177 3.68272181 3.71080283 -0.34176779 0.36860774 1.07359531 Mo 9.27166081 5.56517970 3.68085825 -0.82838826 0.71912512 0.13732113 Ni 9.30148619 3.66926716 5.57218509 -0.51237679 -0.12437877 0.07554903 Ni 7.43147964 5.55094616 5.56057771 -0.37794458 -0.31587675 0.31345916 Mo 11.11904528 3.69518871 3.66686207 0.40834417 -0.91458410 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Mo 7.41168177 9.22808981 5.51975629 -1.05140133 0.61136304 -1.17117428 Ni 11.07733798 7.39587075 3.71448936 0.78950598 0.52240972 -0.68592437 Mo 12.93063945 9.27814067 3.68420508 0.08160165 -1.65019345 -0.49890072 Ni 12.92572909 7.37360516 5.52962063 -0.13983898 0.40888634 0.06894068 Mo 11.09139742 9.25105673 5.56870047 0.47108613 -1.03949482 -1.54135820 Ni 0.02052804 11.05041307 3.75953742 0.51308093 0.18678779 -0.41369297 Ni 1.85379615 12.97544556 3.75693567 -0.20466646 -0.25689921 -0.31320575 Mo 1.86324898 11.06347532 5.54871716 -1.61831004 0.87875658 -0.95878913 Ni 0.01751809 12.91975749 5.52071493 0.75168229 -0.65692705 0.11005022 Mo 3.68704888 11.11395836 3.67025607 0.92832825 0.91522773 0.52986489 Ni 5.56358142 12.93607601 3.70974211 0.04706681 -0.33535176 -0.20197555 Ni 5.56131158 11.12622856 5.54605250 0.03233290 0.46610876 0.03529537 Ni 3.73686071 12.95873290 5.55119422 -0.01516228 -0.57416471 0.06108449 Ni 7.36330288 11.10469733 3.67917112 0.19941172 0.48641001 -0.09021153 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Ni 3.68447123 1.84619068 9.25804166 0.54653559 -0.42524468 -0.30307569 Ni 7.39898155 0.00468413 7.36282473 0.15928932 0.50563077 0.33120615 Ni 9.28437346 1.81865502 7.44085465 -0.03421196 -0.43859158 -0.21641430 Ni 9.25844826 0.01117495 9.26628581 0.16686560 0.38769557 -0.06749805 Mo 7.43948651 1.87513173 9.21141884 -0.03741140 -1.16079103 -0.79631096 Mo 11.08108596 0.00807853 7.38345816 -0.03855406 0.13169216 0.96468029 Ni 12.92834987 1.83418406 7.37913684 -0.25197079 -0.13692616 0.20202233 Ni 12.90656498 0.01873948 9.24546340 -1.08376394 1.02800719 -0.01442940 Ni 11.08086187 1.80578350 9.28754547 0.31683682 -0.14705410 -0.21300181 Ni 0.03737625 3.70370252 7.36699294 0.17875499 0.21465140 0.31475043 Ni 1.87093290 5.58086367 7.39158718 -0.07424033 -0.24246250 0.36263812 Mo 1.82588966 3.66098551 9.22481940 1.26712990 0.47340057 -1.52185939 Mo 0.02584096 5.55333363 9.27874798 -0.87991088 0.20825168 -1.15150742 Mo 3.69711222 3.72367848 7.39459895 0.70218286 0.47363317 -0.05845147 Ni 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1.81914434 12.93468320 7.34888774 0.19822807 0.10168843 0.11989031 Ni 1.86980000 11.12678492 9.21933147 -0.23149544 0.17777808 -0.01116128 Mo 0.02818816 12.90090225 9.27994938 0.85588229 -0.21787307 -0.35157183 Ni 3.67872056 11.10968001 7.38036001 0.26472945 0.35132215 0.43552392 Ni 5.51496218 12.91252008 7.43123470 -0.08444298 0.03757390 -0.26446261 Mo 5.55063784 11.04894055 9.21037947 -0.77474477 0.07132000 0.70849650 Mo 3.66467292 12.96965787 9.21608140 0.18223211 -0.48261768 0.72206218 Mo 7.43077633 11.06787380 7.42031201 -1.73851718 0.65553879 -0.69891152 Ni 9.24826476 12.93963488 7.42650897 -0.45735976 0.73124140 -0.33240059 Mo 9.25183711 11.10414538 9.22175386 -1.30067098 1.11720722 1.23547454 Mo 7.36753564 12.93287559 9.21869803 -0.80209947 1.69323381 0.21851957 Mo 11.09105153 11.11920517 7.39819355 0.44934123 2.03920845 0.09505626 Mo 12.96305287 12.91416638 7.40136658 0.05952097 0.59389604 0.02523118 Mo 12.92239701 11.08756606 9.21402889 2.32528829 1.13540758 0.45718377 Ni 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