64 Lattice="70.0 0.0 0.0 0.0 70.0 0.0 0.0 0.0 70.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=-298.63562353187217 stress="-0.0005849742272394136 -0.0001334682241315799 -0.0001166902898742612 -0.0001334682241315799 -0.0005908752572210093 -0.00010152469523503778 -0.0001166902898742612 -0.00010152469523503778 -0.0005911809638072352" pbc="F F F" Ta 34.98557359 34.97831872 35.02644464 -1.92574578 -1.90413102 -1.89482084 Ta 36.36435821 36.31955094 36.36032356 0.15217991 0.51099743 0.70423455 Ta 37.72751097 37.76909480 35.02225209 -0.33398213 0.13882759 -3.10571790 Ta 39.17219756 39.14225861 36.35846139 -0.10939827 -0.74800088 0.34347950 Ta 37.77796392 34.99297590 37.75934628 -1.45137438 -5.40058489 -1.68669196 Ta 39.09689343 36.36339103 39.10178066 1.81168636 1.33333811 1.36340592 Ta 35.02559019 37.78550730 37.76577417 -4.40414819 -1.47604163 -1.64602915 Ta 36.36449616 39.12822582 39.12761867 1.80667229 0.54952025 1.48905203 Ta 40.47351470 35.02124257 35.00686303 -1.90810298 -0.31033562 -0.44055532 Ta 41.88717494 36.34096628 36.39280414 -1.44393698 1.22675452 -1.99307187 Ta 43.23184158 37.73313552 34.96999655 -0.48134603 0.43790432 -2.97071458 Ta 44.62261191 39.15888742 36.35595830 2.87331665 -0.58853471 0.16474063 Ta 43.22547574 35.02504371 37.77590294 -0.33403264 -6.04772833 1.10962841 Ta 44.62537010 36.36218847 39.09227600 4.82898910 1.27946602 0.07142332 Ta 40.51460036 37.75515883 37.75052377 -0.72120635 -1.06927885 -0.82384162 Ta 41.88691451 39.09995106 39.10645143 -0.00603916 1.27597207 0.42757069 Ta 35.02031479 40.52576321 34.97475207 -0.24050352 -1.45586731 -0.36833745 Ta 36.39264188 41.89903517 36.37634565 -0.63495523 -3.25318160 0.72688629 Ta 37.72767912 43.22526322 35.01069783 1.75058799 0.55309975 -5.65747071 Ta 39.08998293 44.62665428 36.34638807 -0.33456362 4.03874076 0.95144100 Ta 37.77797425 40.45854829 37.75838980 -0.50655224 0.19665239 -0.35784786 Ta 39.15350790 41.85033628 39.11773541 -1.00530169 0.82288755 -0.88897961 Ta 35.00386865 43.21510482 37.72355242 -4.66189645 0.37474461 1.49474653 Ta 36.37874724 44.59619770 39.12040866 0.55459341 3.33806297 -0.58375894 Ta 40.50051650 40.52818335 35.00742279 0.56013520 1.12315415 -4.65703521 Ta 41.92903222 41.87309958 36.35969515 -1.47149770 -1.20148583 2.33131751 Ta 43.22402226 43.25758328 35.01219929 1.64150799 1.98017340 -5.32997663 Ta 44.60572306 44.62253704 36.34990375 0.93842555 0.71984204 2.53431045 Ta 43.25908420 40.51272313 37.77758647 -1.12666264 -1.48654401 -0.85489112 Ta 44.60941130 41.90194578 39.07967779 4.84107044 1.78790868 0.83155147 Ta 40.47706894 43.26206936 37.75117461 -0.20511227 -0.76055645 -1.64368289 Ta 41.83239171 44.61779067 39.12655911 0.50071736 3.71137223 0.84276744 Ta 35.02555576 35.00672366 40.48239380 -0.38527864 -0.45847374 -1.86433326 Ta 36.35429255 36.37297299 41.90570974 1.06724535 -1.34252273 -1.34978385 Ta 37.77177285 37.75907217 40.51763894 -0.92751735 -0.88402397 -0.49570232 Ta 39.09593511 39.14367938 41.88827924 0.99821663 0.23589146 0.61435249 Ta 37.73993439 34.97515121 43.25723133 0.76865130 -3.21149521 -0.45128612 Ta 39.13044346 36.37034536 44.65296418 -0.79445187 0.26646091 3.13741428 Ta 35.00079375 37.74150955 43.23177999 -4.58159374 1.75507797 0.76466284 Ta 36.38290197 39.14025716 44.62521447 0.44060610 -0.69144485 3.25142398 Ta 40.48053336 34.98445308 40.55032775 -0.17760605 -2.84648400 0.36988516 Ta 41.90573079 36.41102315 41.90059445 -0.56922600 -0.28685266 -0.10598068 Ta 43.23904226 37.72842487 40.47229645 1.49593780 0.47039234 0.33070932 Ta 44.63231815 39.17925394 41.91486550 3.52300869 -0.79756107 -0.42032384 Ta 43.26081002 35.02245833 43.24451090 0.41721713 -4.25329021 0.31031297 Ta 44.59232538 36.36002612 44.64569674 0.86625894 2.70817021 1.11978237 Ta 40.51188931 37.75149552 43.26744220 -1.09332199 -0.14950574 -0.38419655 Ta 41.90078224 39.12068302 44.60748021 0.75479909 0.14417347 4.13536637 Ta 34.99797708 40.51339426 40.45937660 -4.57197157 0.24085449 -0.44591024 Ta 36.34600673 41.86978326 41.86213024 -0.00772834 0.04508435 0.75026182 Ta 37.76059164 43.21445138 40.49354513 0.46166230 -0.06306101 0.37536073 Ta 39.16204886 44.64772371 41.85377636 0.36151857 3.41845720 -0.19316623 Ta 37.76030405 40.51939992 43.25923146 -2.40891062 -0.74695385 -1.64255692 Ta 39.12217751 41.84018270 44.60173497 0.80729415 0.59063288 6.57758443 Ta 35.02418984 43.29821104 43.28543066 -5.07816866 -1.32635110 -1.31483868 Ta 36.39081677 44.61340244 44.60479399 4.26774402 2.48649046 2.51937314 Ta 40.49238426 40.52111758 40.50622444 1.01073031 -1.44897350 0.76423324 Ta 41.89832770 41.86827155 41.86710431 -1.67961490 2.49075592 -1.45085421 Ta 43.27363806 43.27392688 40.53087942 -0.03921787 0.09385513 -0.62321652 Ta 44.62219884 44.62151432 41.90127920 1.15710317 1.15880588 3.01807188 Ta 43.22155682 40.52961788 43.22468801 1.82312264 -0.45015658 2.96573085 Ta 44.62612442 41.87499653 44.64073086 0.11214838 1.45398363 0.00049650 Ta 40.48334790 43.22151630 43.27867278 0.84045262 1.01890555 -1.04552744 Ta 41.87230643 44.62717640 44.59018128 2.18736642 0.68201065 0.29952244