108 Lattice="15.00502725857638 0.0 0.0 0.0 15.00502725857638 0.0 0.0 0.0 15.00502725857638" Properties=species:S:1:pos:R:3:forces:R:3 energy=-372.027417560809 stress="-0.0022315691276036183 -0.00014697770481222175 -2.8244080279363353e-05 -0.00014697770481222175 -0.0022316767735512453 2.4054178915037117e-05 -2.8244080279363353e-05 2.4054178915037117e-05 -0.002250247372451903" pbc="F F F" Tb 0.02973047 0.01463426 0.03607174 0.22916921 0.23523861 0.18109978 Tb 2.51733272 2.54246215 0.03579396 0.09391339 -0.07227194 -0.28039343 Tb 2.51764887 0.02224385 2.45161785 0.04611062 -0.23427237 0.14862136 Tb 0.03930497 2.48805521 2.46445097 -0.27714119 0.06548852 0.11491692 Tb 5.03662814 0.01759295 0.02034467 -0.06980189 0.07996701 0.03476700 Tb 7.46890857 2.53060986 0.03516078 0.14992291 0.04622646 -0.26683805 Tb 7.50493852 0.03677553 2.48206559 0.04691461 -0.36719859 0.09364405 Tb 5.03308703 2.46983285 2.57886043 -0.11025564 0.15315968 -0.21900727 Tb 10.00617634 0.05000491 0.04319534 -0.08651575 0.06515844 0.02933445 Tb 12.52261770 2.49212125 0.00438317 -0.14180676 0.16030591 0.16987967 Tb 12.53347330 0.01363434 2.48428762 -0.13562915 0.14859796 0.18176702 Tb 9.99408593 2.45649020 2.52836792 0.15649904 0.16526594 -0.12512144 Tb 0.00486421 4.98131041 0.01796459 0.08530943 0.07412692 0.08583418 Tb 2.51927660 7.53659527 0.04279305 0.00813764 -0.14502303 -0.27761474 Tb 2.52812491 4.99106673 2.47358661 -0.01478387 0.01949660 0.07451975 Tb 0.02905009 7.53255866 2.53860319 -0.26949001 -0.06259132 -0.11543261 Tb 5.03202363 4.97649434 0.02358875 -0.11363083 0.01537305 -0.29642270 Tb 7.45356622 7.49735765 0.04375358 0.20503732 0.05030561 -0.35363437 Tb 7.49634698 5.04986232 2.49296271 0.10906113 -0.17319028 0.08026964 Tb 5.03209556 7.47042039 2.51017657 -0.16937693 0.07266783 0.10455543 Tb 10.04012807 5.02775663 0.02387073 -0.14090025 -0.12473761 -0.18858385 Tb 12.51454843 7.45625574 0.00782911 -0.08183978 0.11506411 0.08690146 Tb 12.48014344 5.02637828 2.54541740 0.28041568 -0.12653945 -0.02053444 Tb 10.03631859 7.48987573 2.53525064 -0.13003174 0.16376290 -0.11824064 Tb 0.08568887 10.05249233 0.00175332 -0.01592084 -0.16314856 0.06928365 Tb 2.50991373 12.48525396 0.02367203 0.13956613 -0.00122138 0.02600303 Tb 2.51486260 10.02691511 2.47169541 -0.12871862 -0.08430170 0.14831355 Tb 0.02208162 12.51154541 2.48812025 0.08882079 -0.11845316 0.15280057 Tb 4.99085042 9.97668251 0.04870222 0.07402227 0.07932800 -0.30870798 Tb 7.51490484 12.51911130 0.01504005 -0.07600520 -0.15005245 0.15777280 Tb 7.48279248 9.97026744 2.54046643 0.10736799 0.15850261 -0.06479987 Tb 4.93848329 12.45720055 2.54955847 0.14953608 0.35746098 -0.04684700 Tb 9.98502531 10.01420737 0.00695718 0.04826661 -0.10466490 -0.11322649 Tb 12.55191118 12.49814233 0.01625496 -0.31908878 -0.31837135 0.31073375 Tb 12.52715622 9.96711582 2.51916410 0.15752829 0.07984320 -0.07916839 Tb 9.99767367 12.46198081 2.48548415 0.03930696 0.20498951 0.09517773 Tb 0.06501647 0.06746641 5.03887675 -0.02435251 -0.05091399 -0.15894081 Tb 2.48778791 2.53607465 4.97850401 0.15728581 -0.03863282 0.07509247 Tb 2.46489813 0.04580995 7.50245783 0.29582453 -0.27198228 0.01020487 Tb 0.03375094 2.46676507 7.49346975 -0.30625933 0.25064577 0.09257658 Tb 5.02938501 0.03104736 4.98829739 -0.12529320 -0.26869852 0.11801752 Tb 7.52831006 2.50482568 4.97979178 -0.04612375 0.00231687 0.16120600 Tb 7.46554107 0.01673286 7.54301327 0.11736347 -0.23405581 -0.07971231 Tb 5.01032079 2.55289563 7.54821168 -0.09129626 -0.08893465 -0.16818081 Tb 9.99600866 0.01926536 5.02492976 -0.01335992 -0.28981410 -0.08600922 Tb 12.52837418 2.54841285 5.04164812 0.19922338 -0.04889788 -0.16655318 Tb 12.52044833 0.01980698 7.45590710 -0.05196450 0.05037104 0.09306032 Tb 10.04095747 2.45981507 7.46715044 -0.18627072 0.14028705 0.16503218 Tb 0.04695679 4.99003044 5.00995160 -0.35742098 -0.03644814 -0.08469532 Tb 2.49034572 7.46399225 4.96173809 0.13481851 0.10724374 0.12310647 Tb 2.48174408 5.04557396 7.53114926 0.21415339 -0.14424436 -0.07620972 Tb 0.02675251 7.45917114 7.51905285 -0.32707053 0.21797877 -0.09075764 Tb 5.03937298 4.97557068 5.03662073 -0.15108330 0.07730610 -0.06522792 Tb 7.49962132 7.53603141 5.04835371 0.05842588 -0.02868343 -0.18432121 Tb 7.50888457 5.02645080 7.50064143 0.12195051 -0.10932084 0.02254817 Tb 5.04581145 7.54441680 7.49183045 -0.27540791 -0.09191142 0.05742712 Tb 9.95830297 4.97865205 4.95790830 0.11510848 0.07848301 0.19495037 Tb 12.47765960 7.53778031 5.01765647 0.30437592 -0.12705984 0.08094661 Tb 12.45890308 4.96303826 7.54094451 0.23170370 0.12978521 -0.05781575 Tb 9.97295388 7.57253702 7.47793320 0.13973296 -0.18528045 -0.01677957 Tb 0.01289490 9.95457009 5.00132622 -0.18710955 0.08625162 0.04788411 Tb 2.45949955 12.49635290 5.03228606 0.03976905 0.24283314 -0.09885859 Tb 2.53684402 10.03725172 7.51148765 -0.18635764 -0.19797735 -0.02106277 Tb 0.04646796 12.52736526 7.51481622 0.04744075 -0.14949068 0.06763519 Tb 4.93383733 9.98573787 4.96010217 0.13356240 0.04471061 0.15392262 Tb 7.45649284 12.54702503 5.02073749 0.03978196 0.08526616 -0.07967383 Tb 7.47690448 9.99566169 7.53362136 0.00297132 0.19658150 -0.24557495 Tb 4.93946923 12.52431381 7.50668368 0.12072692 0.24569839 -0.04677066 Tb 10.03225405 10.02683382 4.98255081 -0.11349164 0.09256679 0.03257283 Tb 12.55189858 12.50713128 5.02520814 -0.15530642 -0.10796516 -0.07239589 Tb 12.53426208 10.02344890 7.49380460 0.14138160 -0.00613452 0.02724672 Tb 9.94892702 12.50349356 7.46172451 0.09099120 0.16799543 0.12450117 Tb 0.03519034 0.00904284 9.95698327 0.08583984 0.11142572 0.04341764 Tb 2.50612601 2.54501653 9.99078299 -0.04050907 -0.10089388 0.06790625 Tb 2.52945960 0.00246158 12.49556659 0.04696150 0.12420536 -0.17856269 Tb 0.04891227 2.52146195 12.51767903 0.10543751 0.05291613 -0.17860017 Tb 5.02572888 0.01788428 9.96405884 -0.10482475 -0.23642891 0.06315877 Tb 7.49366925 2.52655090 9.99936973 0.17668032 -0.04037499 0.08188083 Tb 7.54106961 0.01579660 12.51221063 -0.03169958 0.13147480 -0.12420115 Tb 4.95958079 2.48824202 12.46912227 0.08249229 0.04153660 0.24036272 Tb 10.00168502 0.01562029 9.99480110 -0.04722688 -0.20204161 -0.03652120 Tb 12.46574366 2.47425496 10.03078486 0.20870875 0.08676723 -0.10275399 Tb 12.45737796 0.03547803 12.50629921 -0.20542055 0.18487319 -0.20672511 Tb 10.04797225 2.49645600 12.53246546 -0.22934748 0.10988015 0.10906054 Tb 0.00192664 5.05060289 9.98144925 -0.29546703 -0.23352521 0.02204958 Tb 2.45220988 7.49863302 9.97879040 0.28296039 0.09514086 0.05795760 Tb 2.51520829 4.98566009 12.49269899 0.05440225 0.05484455 0.20928406 Tb 0.02258649 7.48094527 12.45106286 0.03391928 0.02321114 0.06704716 Tb 5.04867152 5.04751369 10.00700794 -0.16092870 -0.02582937 -0.04824118 Tb 7.53246613 7.54089092 9.99624884 -0.08890233 -0.05416385 0.12334143 Tb 7.45383053 5.00328026 12.50775611 0.11845511 -0.04898360 0.24458591 Tb 4.96720554 7.53504201 12.45880220 -0.00033277 0.04482359 0.28393113 Tb 9.96601400 5.05056592 9.98225861 0.08672383 -0.18866652 0.09513803 Tb 12.48232966 7.53141314 9.95432343 0.19745312 -0.04030374 0.10700845 Tb 12.47831172 4.95376013 12.51341866 -0.06932257 0.08623484 -0.15903457 Tb 9.98909358 7.46864820 12.52440840 0.03583818 0.13589393 0.17930244 Tb 0.01596994 9.96539764 10.03803897 -0.25722655 0.08906201 -0.21289994 Tb 2.53959837 12.47441417 10.03023465 -0.10902853 0.31451094 -0.11771237 Tb 2.47170436 10.04792448 12.46143002 0.12959985 -0.17779479 0.29461217 Tb 0.04828008 12.47670819 12.47094486 0.16515929 -0.16682235 -0.21097352 Tb 5.01213700 10.02635031 9.98626353 -0.09238446 -0.16512775 0.07717844 Tb 7.46275466 12.45488788 10.00244791 0.15972987 0.34870787 -0.08332347 Tb 7.49405847 10.04608922 12.52448859 0.07970978 -0.15039141 0.20728914 Tb 5.00995818 12.49257696 12.44122087 -0.04158964 0.00612691 0.07148922 Tb 9.96811894 9.96187254 9.98155058 0.24120480 0.26228716 0.18526684 Tb 12.54554921 12.47873737 9.97618479 -0.22663184 -0.15467420 -0.11110303 Tb 12.54668646 10.03550352 12.50120778 -0.24167174 -0.15589754 -0.20360055 Tb 10.03365286 12.51942277 12.47343279 -0.09115402 -0.16616993 -0.17702910