108 Lattice="11.015547399936384 0.0 0.0 0.0 11.015547399936384 0.0 0.0 0.0 11.015547399936384" Properties=species:S:1:pos:R:3:forces:R:3 energy=-805.630635888717 stress="-0.006121205569283669 -0.0024269556542382757 0.006815859900610212 -0.0024269556542382757 -0.010465282853702086 -0.006976581208618906 0.006815859900610212 -0.006976581208618906 -0.008822388279396551" free_energy=-805.630635888717 pbc="F F F" Ni 0.03273223 0.00877771 0.01483744 0.94183089 0.91192096 0.88142569 Ni 1.84776683 1.84330387 0.03707998 -0.44287199 -0.55911087 -0.21865199 Mo 1.83532470 0.03090239 1.85796748 -0.85572756 -0.58465923 0.21257199 Ni 0.02465212 1.81941009 1.87122036 0.24036576 0.03949149 -0.31464449 Mo 3.70827494 0.01997465 0.03541452 0.27144696 0.74098167 0.34671219 Ni 5.48677604 1.85456421 0.01568337 0.11006855 -0.76469557 -0.55370095 Ni 5.52829025 0.02241701 1.82446309 -0.11280335 -0.00244670 -0.06206270 Mo 3.66254397 1.83569967 1.86984330 0.38521209 -0.81833456 0.57575111 Mo 7.32939379 0.01864720 0.01144850 -0.11829992 0.92535350 0.97065389 Mo 9.17958806 1.86789086 0.02224424 0.52000202 -1.07185724 -0.55980108 Mo 9.20917484 0.00718416 1.86577727 -0.03818865 0.38415445 -0.50130969 Mo 7.33900185 1.80499610 1.85943035 -0.03714324 -0.68486029 0.14728987 Ni 0.00578924 3.65150381 0.03615320 0.88473350 0.08930118 0.84067124 Ni 1.86901048 5.46716681 0.04961222 -0.59382907 0.45519492 -0.04052127 Mo 1.81880209 3.70633764 1.82137739 -1.62609102 -1.54237950 -0.59435289 Ni 0.04446412 5.53261113 1.85342615 0.04425599 0.20018721 -0.26746881 Mo 3.70322955 3.67419932 0.03649793 -0.58488841 -1.16579866 -2.92132378 Mo 5.53504119 5.49253676 0.00720844 -0.27403792 1.43609944 -2.27091398 Mo 5.50411162 3.66252996 1.83690854 -0.18659839 -0.79063964 0.79605547 Mo 3.68545604 5.51531786 1.80829088 -0.31345881 1.10270849 -0.50158740 Mo 7.38649706 3.66283463 0.00262012 -0.20840789 0.08038458 -2.82161558 Mo 9.17779627 5.53982668 0.05012844 0.25213650 -0.17658202 0.05264281 Mo 9.14529510 3.64608078 1.84871470 2.25586793 -0.70776315 0.21348022 Mo 7.37174490 5.47805525 1.83701819 0.51688401 1.53927329 0.18209997 Mo 0.02098076 7.34811411 0.00715748 1.08971601 -0.21866677 1.21792146 Mo 1.83709789 9.19193270 0.01792089 -0.38478528 -0.85462064 0.47752487 Ni 1.84920895 7.36851973 1.82485714 -0.97755551 0.41438965 -0.83181032 Mo 0.01670604 9.18636488 1.86768658 1.30429916 -1.24998119 0.08147740 Ni 3.65493175 7.30953455 0.01741736 0.31079775 0.59310375 0.17109801 Mo 5.50467517 9.14373154 0.00267501 -0.40124806 -0.70190764 1.08692278 Ni 5.52850383 7.36996600 1.82173685 0.07154090 1.07733203 -0.75112059 Mo 3.66242392 9.17808570 1.85968033 -0.31070443 0.64874273 -0.62988258 Mo 7.36854823 7.34884632 0.02976475 0.52595368 0.90223322 -1.06105084 Mo 9.17616839 9.18308639 0.03129051 -0.88145200 -1.02330897 1.32913623 Ni 9.21271220 7.31854837 1.87717615 -0.06199788 0.65379030 -0.20354267 Ni 7.32256421 9.20178914 1.79102097 0.15331820 -0.42893870 -0.03742860 Ni 0.01620801 0.02997765 3.68417823 0.87020221 0.72463224 0.03298130 Ni 1.81909465 1.86140793 3.62522569 -0.59985493 -0.29582130 0.38589971 Mo 1.84689847 0.02533405 5.48737238 -0.76738376 -1.52093753 -1.24368451 Ni 0.00270116 1.86284028 5.48293018 0.53153999 -0.01758763 0.02842195 Ni 3.66820285 0.03074801 3.68639394 0.03358644 -0.11643220 -0.06401225 Ni 5.52087930 1.86259711 3.66357897 -0.09753266 -0.77048898 0.47462401 Mo 5.49757885 0.02101488 5.48822407 0.07125400 -0.19996006 0.66451660 Mo 3.65755240 1.80664872 5.50624136 0.18187772 1.36020012 -1.41954674 Mo 7.36471411 0.01667145 3.67548450 0.31530516 -0.74272616 0.54604799 Ni 9.18204657 1.85378674 3.68664050 -0.08773971 -0.11782301 0.40095162 Ni 9.19111159 0.03178095 5.52287100 -1.11925365 0.98066274 -0.09113349 Ni 7.32304501 1.81729542 5.49825633 0.63504818 -0.08702290 0.22622682 Ni 0.01547830 3.68695311 3.65185158 -0.10851859 -0.46226085 0.20741217 Mo 1.85907704 5.49347912 3.68251894 -1.67849042 -0.45037579 -0.68860854 Ni 1.84091210 3.70708347 5.48294000 -0.55051282 -0.79737682 0.04688473 Mo 0.02689788 5.53747223 5.46319249 -2.05623681 -1.23934262 0.24868183 Ni 3.69450101 3.66944935 3.64617773 -0.44001453 -0.77301238 0.57725940 Mo 5.52294717 5.53502901 3.66499108 1.03542662 0.27850252 0.83339334 Mo 5.53455592 3.68182621 5.52627525 1.61905840 -1.91054072 -0.44864706 Mo 3.72061843 5.48638064 5.48705858 -0.44372450 -1.69095328 0.34533209 Ni 7.34103500 3.66586232 3.68422754 0.67169776 -0.21502887 1.07345949 Mo 9.20161907 5.52671011 3.64606885 0.49073951 -0.27008415 0.87687856 Ni 9.16593265 3.72196935 5.53638972 -0.63139015 -0.20793946 -0.36493406 Ni 7.37101700 5.47726956 5.51632962 0.41067363 0.09973151 0.17647601 Ni 0.03559495 7.34811551 3.68341472 -0.18461116 0.53978086 -0.18306769 Ni 1.81903052 9.17594778 3.64328107 -0.31242431 0.28209824 0.10478516 Mo 1.82997676 7.32784000 5.50521350 -1.97772854 2.59575169 0.01548802 Mo 0.02671441 9.14891195 5.53776306 0.58655467 -0.10607084 -0.75838185 Mo 3.65947674 7.36251978 3.70667391 0.70577550 1.28144604 -1.23702046 Mo 5.51868270 9.14486189 3.66699517 1.06867296 1.08501956 -0.60651114 Ni 5.52903127 7.33221368 5.48360584 0.76436004 0.50792595 0.47307255 Mo 3.69715357 9.18004453 5.53637585 -0.26614679 2.29030451 -0.56490056 Ni 7.33443345 7.32782159 3.64257271 0.59181561 0.59614041 0.41524752 Ni 9.20109422 9.16457161 3.68890107 -1.16219428 -1.14915591 0.08277687 Mo 9.18734877 7.31577494 5.49759602 0.29624420 0.14064591 0.59252628 Mo 7.34609032 9.16523895 5.47470457 0.21254304 0.55694371 0.57343635 Mo 0.01806202 0.03540226 7.33503824 0.41729373 0.50067371 0.20901869 Mo 1.82685471 1.80599557 7.33099679 -1.01257712 1.28233156 0.91265895 Ni 1.83393604 0.03609074 9.19815244 -0.18691500 0.73447814 -0.92919340 Ni 0.01275176 1.86330544 9.17773857 0.42007874 -0.11853803 -0.49191660 Mo 3.63982924 0.02518247 7.36583124 0.52786727 -1.12138699 1.16109976 Ni 5.47803714 1.85116822 7.33305426 0.69082760 -0.42841718 0.75189225 Ni 5.51245826 0.02332469 9.20855147 0.05144016 0.87076806 -0.93166597 Ni 3.70546040 1.85563997 9.16323710 -0.06106588 0.25457298 -0.15334051 Ni 7.36113074 0.00774472 7.34735041 -0.04899174 0.71342415 -0.02636080 Ni 9.19093515 1.88815123 7.34108081 -0.66539415 -0.24701484 0.12082440 Ni 9.17919566 0.00682084 9.20407982 -1.07795518 1.09822266 -0.96953260 Mo 7.33875057 1.86055441 9.20730295 -0.18565817 -0.39718190 -0.85874943 Ni 0.03531226 3.66555131 7.39968686 0.04923327 -0.00260905 -0.36396337 Mo 1.84583940 5.54223303 7.31642405 -0.79303773 -2.47032332 1.28803274 Mo 1.81066517 3.65033560 9.19536151 0.44268611 0.37776468 0.85795092 Ni 0.00043202 5.46259276 9.14938362 0.67667887 0.11014160 -0.31691781 Ni 3.67229007 3.68593601 7.33763310 -0.11928582 -0.35157815 1.06029132 Mo 5.49703054 5.47548766 7.31376891 1.91629572 0.26338377 1.85568931 Ni 5.56051288 3.67192656 9.17737718 -0.24406988 -0.08592225 -0.60300079 Ni 3.63143378 5.53572095 9.18068188 0.15386058 -0.52002255 0.30578297 Ni 7.34655468 3.64304860 7.31393001 0.71447057 -0.01850644 0.66531694 Ni 9.21249435 5.51730528 7.29724843 -0.94736486 -0.11191221 0.28017001 Mo 9.17052659 3.65488482 9.15785821 -0.77302791 0.55867757 -1.19459768 Ni 7.37191640 5.49960198 9.15811117 0.22719158 -0.06876607 -0.56684078 Mo 0.01783042 7.34734936 7.37820132 -1.96014443 0.74500584 0.91748015 Ni 1.79016390 9.17234007 7.34595677 0.01567292 0.41884289 0.35738512 Mo 1.83536285 7.33699713 9.21296464 -0.01844446 0.44520017 0.96430615 Ni 0.00016446 9.21041727 9.17177603 0.91214096 -0.89128825 -0.84063457 Mo 3.69639215 7.34167280 7.35217291 0.34218958 1.02042106 1.49799375 Mo 5.51841467 9.16941284 7.34413046 0.90113864 0.90316272 0.27542030 Ni 5.49119349 7.35209712 9.18033598 0.40584462 -0.01443402 0.12460823 Ni 3.64995961 9.21479849 9.18115720 0.05935929 -0.74783107 -0.87317990 Ni 7.33952999 7.38195867 7.38033909 0.54466155 -0.31049249 0.45674094 Mo 9.21397788 9.17843816 7.33379462 -0.75540727 -0.49536874 0.60978945 Ni 9.19738074 7.32232155 9.16754620 -1.10411500 0.19090839 -1.22838452 Mo 7.33744370 9.19506738 9.14616843 0.40756431 -1.11332245 -0.49715061