108 Lattice="11.880044082840229 0.0 0.0 0.0 11.880044082840229 0.0 0.0 0.0 11.880044082840229" Properties=species:S:1:pos:R:3:forces:R:3 energy=-588.2522948807958 stress="-0.004236199089642527 -0.00027358611372541703 0.00035603848638292675 -0.00027358611372541703 -0.003957233537643017 0.0002387922357869063 0.00035603848638292675 0.0002387922357869063 -0.00426238864105898" free_energy=-588.2522948807958 pbc="F F F" Mo 0.00511951 0.03738955 0.02527953 0.91140926 0.89536362 0.95735213 Mo 1.96580505 1.94130902 0.03060555 -0.53069355 -0.23822471 -0.55477707 Mo 1.98935167 0.00902219 1.94600539 -0.62027604 -0.49800523 -0.27739635 Mo 0.01464310 2.00801173 1.99318427 -0.58286031 -0.70819845 -0.60487861 Mo 3.95962999 0.01944158 0.03601323 0.07369581 0.48045112 0.43206407 Mo 5.92948460 1.99987940 0.03883899 0.11319059 -0.66028308 -0.47184881 Mo 5.94584290 0.01136152 2.01271043 -0.07938480 -0.58621277 -0.78353061 Mo 3.94255682 1.97619683 1.98890174 0.00971066 -0.45790034 -0.45116853 Mo 7.95226190 0.03035702 0.02934864 0.33898913 0.70938104 0.77896359 Mo 9.89211703 1.95000823 0.00354458 -0.78770929 -0.27445131 0.83106356 Mo 9.92638702 0.00765091 1.98103372 -0.84666524 0.84727114 -0.38373434 Mo 7.93033883 1.96533133 1.98325373 0.61423419 -0.42475769 -0.67814353 Mo 0.00707658 3.99973527 0.02546477 0.56842905 -0.07551765 0.55219001 Mo 1.99445536 5.92598496 0.00978966 -0.58437952 -0.01421616 -0.35110856 Mo 1.94373218 3.92326172 2.00395407 -0.12645987 0.38078735 -0.71773176 Mo 0.00811234 5.97235255 1.98949299 -0.38423679 -0.10638508 -0.53127025 Mo 3.95700349 3.92124442 0.02152122 -0.06581384 0.19320676 -0.46038087 Mo 5.96061624 5.96061928 0.01819283 -0.16665349 -0.23823508 -0.49836651 Mo 5.90818474 3.93236289 2.01119340 0.12140964 0.32320986 -0.28860271 Mo 3.95605647 5.94680828 1.97928738 -0.04011663 -0.46717774 -0.34712246 Mo 7.89750100 3.97037594 0.00269437 0.57459727 -0.16067020 -0.24793123 Mo 9.88375458 5.88835117 0.03789961 -0.48391011 0.09200997 0.47173091 Mo 9.92943058 3.93480916 1.98273179 0.29518941 0.02948009 -0.52970158 Mo 7.94068458 5.91664999 1.98205903 0.22097151 0.01528978 -0.30641365 Mo 0.02571150 7.93681268 0.02636869 0.89044511 0.41753199 0.86136409 Mo 2.00036091 9.87933733 0.00746257 -0.43100597 -0.82384865 1.00024050 Mo 2.00859245 7.89592456 1.99791261 -0.72023487 0.87023201 -0.75438061 Mo 0.01412747 9.91837942 2.01266521 0.85045915 -0.89304167 -0.53646144 Mo 3.93266063 7.90836460 0.00089769 0.14163506 0.71859993 -0.35398495 Mo 5.96237832 9.92632314 0.01533747 -0.02414562 -0.81425942 0.71010596 Mo 5.90766683 7.89105052 1.96422139 0.28298858 0.77542712 -0.42862892 Mo 4.01400066 9.93340273 2.01304555 -0.15868410 0.23940691 -0.82731090 Mo 7.92618609 7.89344851 0.00809199 0.62695228 0.76435275 -0.16681492 Mo 9.93911207 9.89611582 0.02852341 -1.17108072 -1.12787432 1.14167808 Mo 9.90524609 7.89802018 2.00298485 0.28536489 0.71604529 -0.66475084 Mo 7.91689679 9.87405009 2.01440607 0.52095353 0.25149983 -0.68837819 Mo 0.02710152 0.02668294 3.94621060 0.50764124 0.51897368 -0.03648590 Mo 1.98708184 1.97242306 3.94108095 -0.57032233 -0.50894200 0.23977791 Mo 1.94197166 0.03335023 5.95444077 -0.28421320 -0.62666783 -0.01822807 Mo 0.02622102 1.96968690 5.97779896 -0.68644832 -0.42980817 -0.32612628 Mo 3.94892295 0.00488509 3.97797805 -0.19806606 -0.71854333 -0.17449061 Mo 5.90720672 1.92447096 3.92518066 0.23276078 0.29649759 0.29270721 Mo 5.90692389 0.03893084 5.93072493 0.24611458 -0.85321744 0.11530435 Mo 3.96816298 1.93719316 5.92298544 -0.09504862 0.08171195 0.22705935 Mo 7.90913577 0.00199274 3.93397301 0.71860902 -0.50062496 0.13431572 Mo 9.87593610 1.99483768 3.95899154 0.54940697 -0.65166388 0.07125089 Mo 9.91617160 0.01347216 5.94225520 -0.73793707 0.70075804 0.05060455 Mo 7.90523052 1.95291031 5.90883804 0.62170529 -0.22736468 0.21149211 Mo 0.01229311 3.95386697 3.95979018 -0.57782146 -0.02206548 0.13114350 Mo 1.98575678 5.89703745 3.96078774 -0.27478816 0.31461671 0.24385593 Mo 1.97830160 3.94265826 5.96710700 -0.23519352 0.01175919 -0.24112643 Mo 0.01046506 5.90296645 5.94538872 -0.48793290 0.25140428 -0.07625428 Mo 3.91555461 3.92352713 3.99382503 0.34334138 0.24112277 -0.10261990 Mo 5.89374896 5.97850376 3.99139797 0.24864928 -0.49998600 -0.25190911 Mo 5.93620174 3.99538352 5.95818217 0.09712833 -0.40667837 -0.22016561 Mo 3.97642967 5.91128749 5.99677867 -0.27457584 0.25868173 -0.18066479 Mo 7.92343706 3.94766804 3.92477614 0.18168377 0.18648624 0.36686442 Mo 9.91143452 5.97028192 3.96903190 0.39049400 -0.25918731 0.06484579 Mo 9.92174460 3.94287548 5.97217868 0.26826564 0.05630047 -0.21066030 Mo 7.91266734 5.95619442 5.94368024 0.53032705 -0.18175375 -0.16398264 Mo 0.01488675 7.94181789 3.93649646 -0.26726456 0.43596895 0.19994768 Mo 2.00014730 9.92209859 3.90196478 -0.50928759 0.28942634 0.17790698 Mo 1.96443115 7.94785900 5.97433195 -0.33697013 0.28797858 -0.50261693 Mo 0.03814901 9.93109110 5.90541141 0.65888884 -0.63261941 -0.02016318 Mo 3.96302953 7.89389113 3.92314434 -0.15508061 0.54020944 0.55659326 Mo 5.89872421 9.93433618 3.96926605 0.30049764 0.11848557 0.12914883 Mo 5.94741819 7.88166638 5.97246289 -0.24907821 0.72912156 -0.14796342 Mo 3.93554350 9.91719855 5.89810247 0.06574097 0.22803923 0.18612402 Mo 7.89989324 7.89598169 3.94277979 0.48975936 0.72069753 0.21845610 Mo 9.90133919 9.89714765 3.96658488 -0.70366152 -0.77008705 0.03621502 Mo 9.92488403 7.90250234 5.96910325 0.21866735 0.67648908 -0.10924688 Mo 7.92315270 9.88777817 5.97401706 0.54334879 0.27151537 -0.26602369 Mo 0.01725837 0.01927948 7.92592603 0.68462571 0.74908400 0.53508252 Mo 1.96731431 2.00217013 7.90036038 -0.36142000 -0.69557252 1.10514283 Mo 1.96411652 0.01525439 9.87581831 -0.40074580 0.85925454 -0.75474069 Mo 0.00053348 2.01493201 9.89149366 0.89895749 -0.45611724 -0.81768670 Mo 3.94094784 0.01890195 7.95140959 0.02683322 -0.36857743 0.45881743 Mo 5.96847017 1.95980529 7.90064364 -0.16962023 -0.26831488 0.57991795 Mo 5.91639519 0.01300825 9.93571458 0.06550275 0.66536598 -0.67143025 Mo 3.97989143 1.97550314 9.92152758 -0.21870787 -0.49262346 0.28471292 Mo 7.92042725 0.00854827 7.95896866 0.55751104 -0.37319168 0.24588926 Mo 9.93796286 1.97776843 7.95071579 0.13245342 -0.49843454 0.25011932 Mo 9.89724225 0.03932473 9.86912006 -0.86753629 0.89147647 -0.88581080 Mo 7.94012768 1.96550737 9.86924764 0.49502474 -0.39579590 0.46259111 Mo 0.00476263 3.92259294 7.90412211 -0.45952591 0.24658238 0.79822874 Mo 1.95617070 5.93589996 7.90022905 -0.36284987 -0.05438097 0.65105051 Mo 1.99088006 4.01283464 9.93767957 -0.57943315 -0.15878923 0.14212529 Mo 0.00167321 6.00367986 9.87523367 0.54097702 -0.14894172 -0.56100746 Mo 3.93883654 3.92228256 7.92573496 0.23877983 0.10888947 0.47212102 Mo 5.97611328 5.94243142 7.95484993 -0.35512896 -0.14587299 0.24278312 Mo 5.95382952 3.88459280 9.90768267 -0.07467107 0.26544175 0.30251216 Mo 3.95856736 5.97040807 9.87424876 0.08598622 -0.14741958 0.39199043 Mo 7.94973350 3.98659461 7.90179037 0.33832982 -0.41468955 0.51502672 Mo 9.88763560 5.92431049 7.94318796 0.51753641 0.08849273 0.50190091 Mo 9.92474822 3.93908539 9.90882360 -0.68331062 0.01336732 -0.64621350 Mo 7.89839761 5.92514183 9.87472666 0.74453740 -0.03396895 0.63883633 Mo 0.02087733 7.94618156 7.93314377 -0.54517246 0.52864047 0.30527558 Mo 1.98254822 9.89137926 7.95727777 -0.50443479 0.59542493 0.36064821 Mo 1.94485439 7.94505250 9.87926222 -0.26379360 0.40661588 0.54560645 Mo 0.01432555 9.86981015 9.93364620 0.90441814 -0.96798962 -0.95843728 Mo 3.92124910 7.92960009 7.92538926 0.29150044 0.47856091 0.40022713 Mo 5.96331352 9.86587983 7.93894682 -0.22955829 0.55761676 0.24237407 Mo 5.97900676 7.93089314 9.87318719 -0.17755725 0.52102161 0.54913425 Mo 3.99972282 9.92172002 9.88162474 -0.04499853 -0.67428180 -0.54464866 Mo 7.93298064 7.92511354 7.91389331 0.86428837 0.55580843 0.74574949 Mo 9.87370715 9.92184676 7.95103927 -0.78616571 -0.93308827 0.40087979 Mo 9.92573798 7.88886121 9.91438676 -1.05891266 0.50442409 -0.99717531 Mo 7.90848965 9.93454804 9.86282572 0.55062650 -0.88533909 -0.72841319