108 Lattice="11.365444055600275 0.0 0.0 0.0 11.365444055600275 0.0 0.0 0.0 11.365444055600275" Properties=species:S:1:pos:R:3:forces:R:3 energy=-551.6446844727577 stress="-0.009017386032268374 -0.0013510986713799699 -0.00011276922790645523 -0.0013510986713799699 -0.0074698501439429904 -0.00030383938467958157 -0.00011276922790645523 -0.00030383938467958157 -0.002079623366101212" pbc="F F F" Ni 0.00590036 0.03668405 0.00012975 0.87035735 0.80173136 0.80265841 Nb 1.86852407 1.87938466 0.02378447 -1.24424930 -0.31192940 -0.25605481 Ni 1.85780188 0.00244672 1.93421440 -0.57927405 0.51372063 -0.03227555 Ni 0.02562330 1.88636030 1.90605642 0.74280937 -0.13120030 0.39475969 Nb 3.78626946 0.02830189 0.01261272 0.72686524 -0.56437846 0.20857373 Ni 5.70754734 1.84862134 0.00281137 0.24505224 0.25700111 0.61760469 Ni 5.70990286 0.00191015 1.90008829 0.38924943 0.31763921 -0.08337339 Nb 3.80777239 1.91784514 1.90402834 -0.29138734 0.51430065 0.41931030 Nb 7.58218382 0.02279336 0.00510478 -0.83829353 0.40153792 0.90005995 Nb 9.47726694 1.91562719 0.02297315 0.39136874 0.23260712 0.78985782 Ni 9.47637050 0.02139123 1.90008310 -0.95393392 0.93966883 0.25671520 Ni 7.54212205 1.92875162 1.93886195 0.40165969 -0.24137547 -0.00185637 Nb 0.00211107 3.82627191 0.05612079 -0.57384295 -1.14504833 -0.15654784 Nb 1.86801088 5.65461553 0.00819249 -0.34770399 0.19027256 -1.81642174 Ni 1.92676677 3.76369192 1.92232028 -0.68781542 -0.47049575 0.50364943 Nb 0.01178467 5.70240957 1.87030030 -1.81985200 -0.46423580 0.49675050 Nb 3.76382386 3.80020844 0.03745467 0.75222747 -0.88929444 -1.40035821 Nb 5.70061546 5.67355101 0.02128436 0.48262440 0.74383685 -1.33373791 Ni 5.65965530 3.72540515 1.88730646 0.49105702 0.14705844 0.25027317 Nb 3.77420440 5.71359660 1.87720445 1.61560174 -1.81534116 1.75949722 Nb 7.60139637 3.81272396 0.00856079 -1.01163915 -2.02991715 -0.32060067 Nb 9.44259682 5.70313807 0.02459638 0.78043167 0.54317691 0.06382610 Ni 9.45739711 3.76569146 1.94321020 -0.35127851 -0.41828708 0.14263076 Nb 7.55026547 5.66167396 1.86712049 -0.81388830 0.15702175 1.48830677 Ni 0.01071605 7.64797584 0.01023319 0.28920302 -0.03359200 0.08540936 Ni 1.90855845 9.45109279 0.01314143 0.03080685 -0.43305116 0.49949304 Nb 1.83976639 7.61111139 1.89872942 0.68654210 1.87715056 -0.90443807 Nb 0.00826798 9.46954876 1.92830110 -0.13506305 0.79972917 -0.63757661 Nb 3.78330108 7.56171623 0.01327844 0.58492731 2.02513120 -1.04594194 Ni 5.64726054 9.45742815 0.00993926 0.27481156 -1.02128466 1.18725263 Ni 5.65465010 7.57519245 1.88706408 0.49784742 0.83472906 -0.18210012 Ni 3.78453115 9.48258931 1.92118868 -0.10254670 -0.37539243 -0.30997605 Ni 7.59286052 7.55864900 0.02936994 -0.12876027 0.91044402 0.71241418 Ni 9.49903765 9.44962522 0.00684304 -0.94359098 -1.23371773 1.23586797 Ni 9.43940034 7.58065661 1.89988646 -0.30965691 0.44336681 -0.57933739 Ni 7.63386091 9.50334119 1.91238279 -0.19320155 -0.89307769 -0.82349397 Ni 0.02356825 0.01441532 3.81493592 1.17424309 1.06595161 0.12897346 Ni 1.88206245 1.90627065 3.77753445 -0.47033530 0.12963649 0.30108626 Ni 1.88089899 0.01886959 5.65609741 -0.21430930 0.88937151 0.05003026 Ni 0.01307635 1.89334526 5.71603382 0.99554555 0.07194932 -0.44113019 Nb 3.76201871 0.02004274 3.77459150 -1.38774127 -1.04126972 0.05530533 Nb 5.67731189 1.88574436 3.75826931 0.98086762 0.67960542 -0.96791878 Nb 5.66030869 0.00042715 5.68881937 0.05222723 -1.69607388 -0.49410578 Ni 3.80546811 1.88733169 5.66764761 -1.28948096 0.01741013 -0.35473511 Ni 7.59007889 0.02744067 3.80136814 0.45835961 0.33165344 -0.54606433 Ni 9.47906433 1.92481821 3.79596446 -0.69439578 -0.32181715 -0.65326698 Ni 9.48545177 0.01822844 5.69133854 -0.58932019 0.75024865 -0.18913591 Nb 7.61115176 1.89399270 5.67137426 1.79064685 -1.00601341 -1.55455379 Ni 0.02836934 3.81349419 3.79230555 0.46731509 -0.89432110 -0.12566304 Nb 1.87331208 5.66447188 3.80310864 0.94805990 -3.06222709 0.44075029 Ni 1.93157350 3.77846340 5.70492756 0.01617799 -0.48388178 -0.23456213 Nb 0.01259974 5.65316719 5.65237663 -1.23959121 -0.50202889 1.08818557 Ni 3.80418976 3.74872017 3.77227898 -0.43811201 0.10982548 0.29577634 Ni 5.67466867 5.65681413 3.79561594 -0.33767567 -0.51691214 -0.81015246 Nb 5.68364749 3.78687078 5.69365241 -1.57709773 1.33272609 -2.13960495 Ni 3.82982780 5.65127992 5.65759972 -0.43627621 -0.06604084 0.60317169 Ni 7.55849954 3.79929290 3.79204295 0.23355515 -0.40587508 -1.10107035 Nb 9.48716342 5.64243762 3.78315907 1.76761085 0.29782433 -0.83152837 Nb 9.44223863 3.77609462 5.70951029 2.10336110 -1.38519331 -0.83036389 Nb 7.56642650 5.66747017 5.66339416 -0.38234356 0.05421906 -0.59190242 Nb 0.00136792 7.61286282 3.77448462 -2.02722401 1.02281481 1.07219823 Ni 1.86724679 9.41865539 3.78702226 0.29646903 0.39283459 0.36235542 Nb 1.87557523 7.54293082 5.68395260 0.95729951 1.43871224 2.50753218 Ni 0.02888525 9.43880206 5.73662793 0.53601035 -0.42074750 -0.03595554 Nb 3.76616837 7.54979227 3.83922701 0.95987616 1.03882984 -0.47433070 Nb 5.70695574 9.49648835 3.80180424 -0.75130164 1.59141624 -1.72118357 Nb 5.71600326 7.60057989 5.67464780 -2.98415809 -0.81736560 1.60069582 Ni 3.75247522 9.49381596 5.64622421 -0.13329834 -0.15092194 0.67082040 Nb 7.56284173 7.54741150 3.81498600 0.26327096 0.29345259 -2.05107750 Nb 9.47902425 9.43425459 3.75900261 0.46689419 -0.14285060 -0.27390143 Ni 9.47826891 7.53799975 5.67604922 0.18082396 0.31259935 0.11392790 Nb 7.57719104 9.48858296 5.69306074 0.53193314 1.84115708 0.73297418 Nb 0.00652122 0.01151146 7.60287119 0.37571782 0.91975586 -0.88067836 Ni 1.90791013 1.89089309 7.57819643 -0.22662407 0.10605210 -0.12676371 Nb 1.85938158 0.02804997 9.50539247 0.47806857 0.76435074 0.43599039 Ni 0.01921228 1.89723677 9.49199781 0.70992120 0.37630658 -0.67080634 Nb 3.75425780 0.01279928 7.57872983 -1.43617855 -0.30019780 -0.87989295 Nb 5.64829320 1.95918955 7.58110466 -0.48473611 -0.51121043 1.59575492 Nb 5.68011219 0.04821531 9.44974989 -0.09156161 -0.25355990 1.13897967 Ni 3.76940823 1.87785396 9.47756922 -0.35394866 0.46897797 -0.06063231 Nb 7.59471389 0.02828751 7.55612462 1.72505545 -0.99348617 0.75030601 Ni 9.44312271 1.86480099 7.57220727 -0.01636111 -0.08794634 0.64358933 Ni 9.49593090 0.02050199 9.44772152 -0.94116970 0.73522831 -0.74759563 Ni 7.59816454 1.83471784 9.48355439 0.53692028 0.42389859 -0.26077528 Nb 0.00707670 3.81603119 7.58468160 0.74803392 -1.67510881 -0.08542951 Ni 1.92389356 5.66801013 7.58088000 -0.03488030 0.27614778 -0.24599163 Ni 1.91470595 3.78546543 9.43597415 -0.16704737 -0.48313894 -0.35999205 Nb 0.00743483 5.69492454 9.43552596 0.33045248 0.41010016 -0.16988475 Nb 3.80523982 3.76044265 7.56114427 -2.14968647 0.38027259 0.23667649 Ni 5.65505824 5.69761005 7.58791030 -0.61178160 0.05331231 0.39308460 Ni 5.68984327 3.77729857 9.47572542 -0.12895588 -0.17815958 0.16815008 Nb 3.77837298 5.71983690 9.42240430 -0.01994952 -0.45955227 0.29136169 Nb 7.56124038 3.76785922 7.60421003 0.23268632 -0.71489499 2.57073301 Nb 9.46094873 5.64648446 7.57786565 2.46543432 1.22799054 0.54361926 Ni 9.47421635 3.80544643 9.45467965 -0.38031975 -0.59525858 -0.46017970 Nb 7.58757515 5.67105653 9.50626448 -0.33292259 -0.57057232 1.46487530 Ni 0.03225306 7.63139282 7.53168157 0.33974342 -0.14146705 0.23802077 Ni 1.88028010 9.45888215 7.55453356 0.02994263 -0.37075824 -0.12238367 Nb 1.89241369 7.63343781 9.49756847 -0.08485811 -0.48941167 -0.76862265 Nb 0.01331235 9.50868518 9.49112274 0.44634348 -0.42549241 -0.90536199 Ni 3.77445525 7.64144950 7.54851866 -0.04214549 -0.18479805 -0.24980944 Ni 5.67992886 9.42376093 7.55998829 -0.38492330 0.30053432 0.11724711 Nb 5.72131656 7.60889978 9.47606664 -0.45704852 0.49589228 0.30890833 Nb 3.74762814 9.47951284 9.49075263 0.02447604 0.45592030 -0.79341002 Nb 7.52655083 7.56969379 7.55390803 0.74826826 0.64297286 0.87328424 Nb 9.48087782 9.44523544 7.60187107 0.39801994 -0.37637108 0.04127508 Ni 9.44488838 7.55982637 9.43312674 -0.41640281 0.24848251 -0.05921826 Ni 7.55288666 9.46970638 9.43431698 0.01706659 -0.40201455 -0.49682442