108 Lattice="12.116800535336203 0.0 0.0 0.0 12.116800535336203 0.0 0.0 0.0 12.116800535336203" Properties=species:S:1:pos:R:3:forces:R:3 energy=-698.2911386143959 stress="-6.5785058098379166 0.1945946453574825 -1.787365733845018 0.1945946453574825 -7.054135691312251 2.266232669726237 -1.787365733845018 2.266232669726237 -8.399123611013854" pbc="F F F" Nb 0.00834079 0.03074184 -0.00404302 0.90882742 0.84931208 1.12133970 Nb 1.99812878 2.00246551 -0.01953980 0.11499924 0.07442104 -0.25311948 Nb 2.03457059 -0.03871654 2.05264664 -0.23090178 -0.15029373 -0.36618476 Nb 0.00737485 2.05917872 2.04963968 -0.44394079 -0.58884448 -0.36723212 Nb 3.98955407 -0.02656396 -0.02465723 0.13916271 0.59458604 0.52253059 Nb 6.08245149 2.01411043 0.01962581 -0.20797808 -0.22068880 -0.71567679 Nb 6.00900722 0.03125528 2.01863869 0.22779497 -0.79801206 -0.11335488 Nb 4.06586347 2.02809117 2.02171406 -0.43020955 -0.18814731 -0.41413471 Nb 8.05099060 -0.02975223 0.01202127 0.12524832 0.66719413 0.58805228 Nb 10.11164113 2.00461557 -0.00998919 -0.78234143 0.16856604 0.73646988 Nb 10.10049439 0.00627764 1.99499560 -0.46626438 0.44352588 0.03531474 Nb 8.08375104 2.02167915 2.02406591 0.20977665 -0.23630687 -0.42671856 Nb 0.01221592 4.06376755 -0.00207017 0.14630525 -0.21815464 0.29081782 Nb 2.01326032 6.01703587 -0.01528863 0.18250121 0.30579327 -0.41116021 Nb 1.98738493 4.03685881 2.02133691 0.11146655 0.15548696 -0.23927428 Nb -0.03411340 6.07984364 1.99023806 -0.42679825 -0.16561480 0.42072225 Nb 4.06809865 4.06140739 -0.03428590 -0.13592163 -0.13626203 -0.54107093 Nb 6.08247731 6.08244886 -0.01796473 0.07330576 -0.11200495 -0.81889455 Nb 6.06356069 4.00783387 2.01794637 -0.00020058 0.15305551 -0.23300805 Nb 4.10001546 6.06248503 1.96781208 -0.30154657 -0.14527195 0.02920541 Nb 8.07222003 4.03033751 -0.01525189 0.27897866 0.05457457 -0.46537395 Nb 10.11875311 6.07879851 -0.00792316 -0.58039075 -0.06198618 0.37502700 Nb 10.10124959 4.08347510 2.04870612 0.54185783 -0.16859854 -0.51381684 Nb 8.07626145 6.05272041 2.01536573 0.06535356 -0.04553329 -0.21237126 Nb 0.03620166 8.04677641 0.03356879 0.38148435 0.21427727 0.27286376 Nb 1.99640623 10.07772998 0.02224803 0.08805436 -0.36689440 0.46396321 Nb 2.04666474 8.11283446 2.05136715 -0.38401956 -0.10448847 -0.18740945 Nb -0.03224552 10.10252634 2.03650978 0.73467036 -0.68010072 0.17025149 Nb 4.05977733 8.09618165 -0.01059463 -0.25054184 -0.17941022 -0.78094507 Nb 6.04850072 10.11707886 0.03805483 0.17256824 -0.19020501 -0.04339778 Nb 6.02749750 8.07022532 1.99447475 0.21231955 0.14768990 0.17571684 Nb 4.06039966 10.06690251 1.98050276 -0.25807892 0.84968137 0.34053216 Nb 8.05401241 8.11188855 0.03089476 0.33871505 -0.04997619 -0.72206027 Nb 10.12262747 10.07982115 0.00703859 -1.06609558 -0.98965511 1.08726898 Nb 10.05931768 8.04690637 2.01844706 0.83802035 0.29244092 -0.32634197 Nb 8.05280112 10.06198339 2.02948230 0.28600712 0.77358502 -0.19446900 Nb 0.03758451 -0.01408614 4.06925809 -0.02775155 0.26067768 -0.33251019 Nb 1.97969007 2.02369400 4.07463477 0.16878738 -0.20446289 -0.11857874 Nb 1.98335902 -0.02318714 6.05219764 0.51909611 -0.65844757 0.20641175 Nb 0.01638295 1.98288152 6.07700337 -0.95863375 0.35598693 -0.28327667 Nb 4.06646986 -0.01454185 4.04561278 -0.36379625 -0.65211903 -0.03919016 Nb 6.02441214 2.04341605 4.02925182 0.24261093 -0.21387624 0.24461981 Nb 6.02195881 -0.01993001 6.03954289 0.26029892 -0.66608051 0.09273160 Nb 4.02299613 2.00147746 6.03759878 0.00807559 -0.17336495 0.00764072 Nb 8.11358644 0.02318757 4.02494886 -0.19793545 -0.59408333 0.02198747 Nb 10.08300517 2.03980885 3.98966983 0.71365897 -0.06692339 0.26044167 Nb 10.10329485 0.00968896 6.05565833 -0.06642461 0.12079738 -0.19825361 Nb 8.11469028 1.96768652 6.09347483 -0.31280900 0.21857248 -0.37204326 Nb 0.01175294 4.03292518 4.04716816 -0.74591985 0.20437176 0.08509147 Nb 2.01301415 6.04368692 4.07992885 -0.12984277 0.07325228 -0.13494840 Nb 2.05367096 4.00413938 6.08916693 -0.23166109 0.26924580 -0.18244241 Nb -0.02073734 6.02182702 6.08542283 -0.56855171 0.19921559 -0.08821288 Nb 4.03119048 4.02283863 3.99737446 -0.12340266 0.14116553 -0.05397609 Nb 6.05282408 6.00393269 4.07328584 -0.02602423 0.23865626 -0.19115712 Nb 6.02697546 4.07193545 6.05392292 0.40762773 -0.56531487 0.18404291 Nb 4.04749463 5.99079691 6.07511198 -0.23058767 0.31168222 0.00979211 Nb 8.05285907 4.03508180 4.00335772 0.28071720 -0.06193819 0.19943138 Nb 10.12839759 6.06462748 4.03772670 0.60173816 -0.02201106 0.18815744 Nb 10.09072647 4.04494754 6.07847357 0.60702863 0.00690401 -0.13762916 Nb 8.07232073 6.08097600 6.08446870 0.22654194 -0.03885715 -0.16561020 Nb -0.02304828 8.11235779 4.07852557 -0.39776344 -0.37684250 -0.35683568 Nb 2.05280600 10.09206734 4.07924771 -0.19974762 0.54946350 -0.30991515 Nb 2.05287745 8.07470759 6.08941539 -0.33004476 0.07862486 -0.14150712 Nb 0.00855537 10.08577322 6.02461221 0.30019647 -0.05864640 0.33858791 Nb 4.04723366 8.06401270 4.05781649 -0.02945745 0.08831503 -0.01874083 Nb 6.03940019 10.13543761 4.01735187 0.07014116 0.58301344 0.10474085 Nb 6.05001720 8.04883676 6.03137294 0.03647796 0.27810565 -0.02433990 Nb 4.04264119 10.08497565 6.07238709 0.11631128 0.80078991 0.10661345 Nb 8.11375447 8.07605308 4.00075655 -0.18196894 0.05728075 0.37140419 Nb 10.07079176 10.10501314 4.00669860 -0.18292873 -0.44939622 0.13451037 Nb 10.13257891 8.04504226 6.08007567 0.42637963 0.35999279 -0.17163474 Nb 8.10332574 10.11487443 6.03902100 -0.00310870 0.27590186 0.09834349 Nb 0.00080016 0.01904102 8.04862072 0.45364265 0.39494457 0.53403021 Nb 1.97749186 2.04580549 8.04807553 0.05448512 -0.48407701 0.77032523 Nb 2.04439983 0.00348595 10.08325958 -0.34076140 0.76858350 -0.63827768 Nb -0.03531686 2.05809526 10.11839775 0.90753204 -0.25872623 -0.79247590 Nb 4.05957930 -0.00246303 8.08942803 -0.32733386 -0.51516894 -0.20691137 Nb 6.04480112 2.01226062 8.04441415 0.15914926 -0.16375215 0.15063934 Nb 6.02238532 0.00325808 10.07098003 0.41121016 0.26997043 -0.23324984 Nb 4.04438941 1.99413746 10.10883553 -0.09317588 0.12782774 0.52784372 Nb 8.09376093 -0.03336698 8.04436075 -0.08833419 -0.43440820 0.46690344 Nb 10.08662924 1.98848746 8.05310486 0.62451563 0.14437629 0.39837212 Nb 10.09723600 0.03648044 10.07707930 -0.85857441 0.73617845 -0.79322179 Nb 8.07437543 2.02054626 10.11677210 -0.02254013 -0.18229130 0.22290129 Nb -0.00769808 4.05351104 8.08833659 -0.58013917 -0.17215529 0.10920849 Nb 2.03921225 6.05452739 8.07170918 -0.21067525 0.02998253 0.18470516 Nb 2.04819563 4.04193414 10.11649076 -0.21921372 -0.16237880 0.48496729 Nb 0.00890378 6.02535978 10.09690354 0.31564562 0.06761298 -0.33797675 Nb 4.05895145 4.01849864 8.07756878 -0.09468041 -0.09064458 0.19622813 Nb 6.08116760 6.04078604 8.07239016 -0.07301299 0.10765225 0.14804609 Nb 6.02064178 4.05499512 10.07812874 0.16621780 -0.28644114 0.81082675 Nb 4.03740216 6.02776426 10.11248201 -0.02561237 0.32220347 0.59290122 Nb 8.09628322 4.02982347 8.09251410 0.12067751 -0.01171209 0.17263016 Nb 10.09610226 6.06801152 8.09378142 0.54750505 -0.08194157 0.19755878 Nb 10.10145451 4.00854090 10.10232552 -0.36344106 -0.01509361 -0.43810125 Nb 8.04305474 6.01892999 10.11219617 0.50486410 0.30884460 0.52911347 Nb 0.00145651 8.09238223 8.08011706 -0.47348512 0.01444930 0.16949422 Nb 1.99170182 10.08366819 8.09739785 -0.08330673 0.47570433 0.12416389 Nb 1.97898965 8.05303852 10.12734736 0.11701899 0.33452142 0.29858060 Nb -0.00979657 10.10569059 10.11492554 0.93372412 -0.97125844 -0.90950420 Nb 4.04087291 8.08987693 8.06643880 0.02565429 0.10189673 0.37530393 Nb 6.08608499 10.07045786 8.10666202 -0.20671674 0.67011488 -0.46674640 Nb 6.06674604 8.10338942 10.09815217 -0.14495390 -0.22805675 0.67625923 Nb 4.04643422 10.12003158 10.07038479 -0.16991549 -0.51628715 -0.34172040 Nb 8.07608034 8.04791478 8.08299787 0.26289488 0.35699915 0.25154129 Nb 10.11686044 10.07743480 8.09995853 -0.61831364 -0.29023199 -0.41738045 Nb 10.13443622 8.11821174 10.06475129 -0.90744686 -0.54656246 -0.25135785 Nb 8.05052203 10.10541265 10.05915088 0.40738049 -0.43806655 -0.18342764