108 Lattice="13.09040369818732 0.0 0.0 0.0 13.09040369818732 0.0 0.0 0.0 13.09040369818732" Properties=species:S:1:pos:R:3:forces:R:3 energy=-119.51921828895763 stress="-0.0036081935446342114 -0.0002786700265043707 0.004221077416771292 -0.0002786700265043707 -0.018957839137292702 -0.003767734547296876 0.004221077416771292 -0.003767734547296876 -0.005808892857505533" pbc="F F F" U 0.05706838 0.01138892 0.03718162 0.02357074 1.02889963 2.20227346 Xe 2.17811082 2.17495928 0.02090325 -2.47694695 0.17184881 -1.74904827 U 2.20973362 0.00279902 2.16686159 -1.50144488 0.43633593 1.62919796 Mo 0.00191698 2.13881406 2.18989501 1.35417346 -0.49270392 -1.35165216 Xe 4.33823228 0.04015129 0.03810759 0.43081752 -3.46808992 -1.76696170 Xe 6.53311582 2.15049632 0.01450236 1.19906480 0.59468429 -2.66694101 U 6.55752306 0.01083392 2.15977066 0.27303835 0.09673404 2.39539363 U 4.36406409 2.20253530 2.19640675 -0.67046881 -0.57504489 1.41243108 Xe 8.73043926 0.03791685 0.03686153 0.35906887 -3.57375417 -1.53603580 Xe 10.92266292 2.16272190 0.02692790 2.54643901 0.17841603 -2.22559810 Mo 10.88634301 0.04011688 2.19868213 -2.07055800 1.35207530 1.87103007 U 8.79720894 2.14405530 2.14170700 -0.12230788 -0.41154074 2.56020575 Mo 0.00035320 4.38337369 0.03306701 0.58270873 -0.76947749 2.65199630 Xe 2.18198164 6.53690349 0.03763847 -2.26380731 -0.01238116 -2.24564063 Mo 2.21978748 4.39115059 2.21763118 -1.60888364 0.53959327 -0.48384843 U 0.03127561 6.58160982 2.18713814 0.66994430 0.79995328 -0.18771493 Xe 4.34931001 4.37838210 0.01802664 0.40996801 0.63342673 -3.28771232 U 6.52616917 6.56483059 0.03716203 1.97053341 -0.33154782 0.84312195 Xe 6.51642049 4.34430468 2.14116223 1.73813418 0.98420002 0.58097214 U 4.35800985 6.50616135 2.16720339 -0.57150460 0.42000942 1.11222747 Mo 8.71550942 4.39752631 0.00508665 -0.06190127 2.20148822 0.77892895 Mo 10.88065166 6.50180000 0.01963475 -1.96712501 -0.08740806 1.38692796 Xe 10.91561650 4.36195921 2.18000063 2.44912484 0.06147454 -1.09356860 Mo 8.78742854 6.51634247 2.21276038 -0.30878060 0.47035463 -1.62158810 Mo 0.01758419 8.76082506 0.03413260 1.12019388 1.32433078 2.77953434 U 2.16923696 10.94360477 0.00422523 -0.69423992 -1.23093361 1.41627690 U 2.22136817 8.76631880 2.15467007 -2.14807690 0.18479557 1.18931858 U 0.01713178 10.86772368 2.10939784 1.25506094 -2.23515785 -0.36432134 Xe 4.35234180 8.69659835 0.02233217 0.55777030 0.87701353 -3.80997109 U 6.51459378 10.94329616 0.04242737 0.49860675 -0.34455347 0.88983885 Xe 6.54599040 8.72264951 2.16769668 0.84855911 -0.90475524 1.56039503 Xe 4.34461429 10.89405072 2.21203651 -0.30835000 3.89038721 0.16745006 Xe 8.71598814 8.78892358 0.01058508 0.87020188 -0.01915430 -2.41161157 Mo 10.87656937 10.93396579 0.04022371 -1.24900642 -0.53312092 2.30621842 Mo 10.91998073 8.74996599 2.20618855 -1.55473115 0.93167457 0.12505589 Mo 8.73416248 10.92275575 2.17025102 0.83469707 -0.49227541 0.70563993 Mo 0.04284928 0.02897150 4.34435389 2.01296325 1.39032174 -0.66995575 Xe 2.22978838 2.16617219 4.36564014 -0.77110355 -2.72462567 -0.78525310 U 2.15431676 0.07745463 6.54893983 -1.82529845 -0.18170326 -0.00044690 Mo 0.00078754 2.20219231 6.56384978 0.81104438 -2.66833575 0.76784932 U 4.35446554 0.05878712 4.31952988 -0.24125551 -0.25827624 0.09155819 U 6.51343446 2.16345011 4.38729764 0.95408139 -1.04446526 -0.98830988 Xe 6.54631627 0.02145870 6.56269133 0.81441834 -2.79102703 -2.30984816 U 4.34822281 2.22238389 6.60949111 -0.43548068 -0.72437762 -0.45087180 Mo 8.70838663 0.02787243 4.34822621 1.13411731 2.11320377 -0.60414106 Mo 10.93272486 2.18149807 4.32907890 -1.89502774 -3.22913028 0.62452557 Mo 10.89042608 0.02926880 6.56611638 -2.21072393 2.18417435 -0.23982715 U 8.72450212 2.16032943 6.55469348 1.56007457 -1.02203711 -0.36147210 Xe 0.01904382 4.36764701 4.38054231 -3.89446528 1.12850075 -1.26775689 U 2.17134824 6.55782911 4.30588359 -0.33151580 1.96830515 0.02564915 Xe 2.14457254 4.34213333 6.51962556 0.27208695 1.48094672 1.09145408 U 0.03809904 6.56375898 6.55231572 0.76009946 1.53586030 -0.07839541 Xe 4.35610928 4.40300014 4.35045415 0.58708358 -0.78301623 -1.39176674 U 6.53919078 6.54419774 4.36642878 0.51983214 1.96328221 -0.87245793 Xe 6.53684760 4.37192818 6.56820626 1.07588042 -1.10922030 -0.65785492 Xe 4.36379449 6.50667321 6.53401327 -0.58750886 3.48573233 0.13847985 Xe 8.70862912 4.39100662 4.35434257 -0.90138397 -1.70537472 0.04206579 Xe 10.87614873 6.56109587 4.32864238 2.84341594 2.45031539 0.34609317 Xe 10.90645280 4.32031194 6.55447024 2.63772593 -1.31267686 0.49706030 Mo 8.74512638 6.52497772 6.52879981 -0.95614627 1.06636848 -0.75802854 U 0.03296220 8.73990898 4.33223744 1.36330419 -0.09453787 -0.46381816 Mo 2.19039078 10.86653112 4.36038431 -0.17586366 -2.57969124 -0.67173378 Mo 2.19502246 8.76470537 6.57718130 0.13067909 -0.06692646 -0.19306964 Xe 0.03685731 10.91166330 6.58247971 -1.46850626 1.20494179 -0.06540388 Mo 4.37426360 8.68831093 4.32994767 -1.18026198 0.40922516 1.60325405 Mo 6.51942678 10.88647372 4.38747966 1.71634811 -1.71174119 1.63401873 U 6.58756738 8.70552491 6.54364480 0.51586192 1.68196548 -1.45156607 U 4.37956385 10.88076730 6.55672478 0.07856878 -1.01122154 -0.40564713 Mo 8.70085224 8.75719061 4.37654646 0.45835287 0.71920638 0.37064165 U 10.88405771 10.89806018 4.39494894 -2.05901407 -1.43586253 -0.03898652 U 10.93712711 8.76058386 6.51168341 -1.85654136 1.76044656 -0.63932547 Mo 8.70154389 10.88350732 6.51895952 -0.19764285 -0.79304699 -0.59718799 Mo 0.02972457 0.03866718 8.72127458 1.39468239 1.48824438 0.16190583 Xe 2.22268665 2.18909851 8.76303565 -0.77935697 -0.93303263 0.94624117 U 2.20693602 0.03098409 10.88406925 0.29547293 1.71734645 -1.08946443 U 0.03409076 2.16790502 10.90982571 1.54579189 -1.19546048 -1.26871249 Xe 4.35880820 0.00559211 8.68652835 -1.13630514 -3.78484243 1.37310229 Xe 6.51016696 2.16160804 8.68454628 1.89952376 1.12692593 2.98571940 U 6.47759948 0.03527014 10.92995585 -0.49583298 1.63141740 -0.19795804 Mo 4.37576264 2.17202195 10.90486579 0.15927373 1.25128914 -0.01992245 U 8.75862788 0.03362714 8.76094233 1.72858906 1.03223627 0.63955716 U 10.87179877 2.16167230 8.69949108 -1.01241483 -1.11687339 0.89185541 Mo 10.86907304 0.00854454 10.94314235 -2.13199446 1.36009877 -1.47716344 U 8.72717936 2.19654302 10.93052472 0.35276372 0.62898418 -1.19306109 Xe 0.03069986 4.35502637 8.69586205 -4.08060008 0.07705685 0.58636676 Mo 2.20027043 6.54859305 8.73824927 0.59049684 0.93140993 -0.45533565 U 2.22512958 4.38279205 10.86488123 1.88638240 -1.41197965 0.01381998 Xe 0.02386832 6.52524491 10.94419018 -2.49782234 -0.23882526 1.96862635 U 4.32065621 4.37540100 8.69280097 0.46903788 0.02752511 2.63228963 Xe 6.58136021 6.54464909 8.72438997 -0.70151908 -0.66135336 1.21587069 Mo 6.53813761 4.36179768 10.94341579 -0.68158867 -0.37368005 -0.84708327 U 4.37091383 6.57487025 10.87012418 0.35359690 -2.04890025 -0.59972613 Mo 8.71190549 4.32661845 8.75933029 0.59682238 -0.72802886 2.24712920 Xe 10.88385627 6.53930409 8.70391792 2.59485616 -0.70543418 0.15483255 Mo 10.91186853 4.32202548 10.93049515 -2.47688883 -0.47362151 -1.34649512 Mo 8.68491608 6.57395575 10.85207780 -0.81783137 -4.06774730 0.15298612 Mo 0.00291538 8.77191200 8.69153986 2.14400711 0.02696278 -1.14536753 Mo 2.14911868 10.88710071 8.71874297 0.16117836 -1.28139002 -0.46803564 Xe 2.14408866 8.68537488 10.92060472 0.57254907 1.21601340 1.44649911 Mo 0.03911619 10.86908059 10.88706088 0.75319982 -0.70927987 -1.73915093 U 4.35585430 8.75683629 8.68421137 -1.54788570 0.17770606 -1.12935256 U 6.52494800 10.90588240 8.70009519 1.04424509 -0.09793015 -1.56218432 Xe 6.51454207 8.74623575 10.90228361 0.32878501 -0.17238337 3.14702963 Xe 4.39639341 10.95217768 10.88665052 -0.51576204 2.62710024 1.14546891 Xe 8.71434235 8.71192585 8.75256137 0.55120231 2.24100163 -1.57480481 Mo 10.90363846 10.84972093 8.69582790 -1.92604037 -0.17560924 -1.79919430 Xe 10.93695668 8.70209735 10.91874876 1.75000938 0.89450085 2.64348171 Mo 8.77907804 10.89424520 10.88283528 -0.04236454 0.72925339 -1.47151517