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=916.2043513605581 stress="-0.004770510682324916 -0.0015692982627880418 -0.001089672312864586 -0.0015692982627880418 -0.009173395127832457 -0.003432703369216176 -0.001089672312864586 -0.003432703369216176 -0.011987961381794513" free_energy=916.2043513605581 pbc="F F F" Ta 34.89199977 34.72282352 35.02702289 -12.93480093 -8.57245688 -10.02201654 Ta 36.27414424 35.57004200 36.10927903 -257.48790781 64.65670223 -288.43764953 Ta 37.29261688 37.05113624 35.22946977 7.81207011 9.62015484 -9.32328081 Ta 38.77767258 38.78339028 36.11047386 -1.81819487 5.83816726 -8.70019487 Ta 37.16585485 35.34648956 37.13500902 260.05864067 -71.99712392 300.60635878 Ta 38.51159530 36.53174157 38.62521810 420.23528271 -460.61159401 -781.05193640 Ta 35.44091833 37.32173277 37.69935522 -5.49650335 -13.13632340 -6.85610059 Ta 35.56978796 38.90608989 38.88332545 50.49158732 -169.19336483 -92.12634032 Ta 39.54614821 35.10639993 34.65815336 -0.33243471 1.49463575 0.14019145 Ta 41.63325221 36.49583276 36.13713315 -104.76367395 -222.01617200 126.16906299 Ta 42.15721267 37.65393299 35.45473000 102.33577534 223.42678190 -133.60708346 Ta 43.89657381 38.98908541 36.49373862 6.26494708 -2.13091115 -1.55576219 Ta 42.04938645 34.74844141 37.35019612 3.60674777 -4.65671250 4.61604961 Ta 43.86785827 36.22114042 38.72499027 -0.00487186 -2.17455823 -1.41886996 Ta 39.67392473 37.37578776 37.42141567 3.93678599 -7.15468974 -31.52151717 Ta 40.74130632 38.31749011 38.59957432 15.58757042 13.38095699 13.37140355 Ta 34.52220982 39.86196919 34.87598570 -0.65468280 -1.47583251 -1.41739348 Ta 36.16146703 40.75132770 36.27424373 -3.64736407 -1.85749103 5.73562686 Ta 37.29249242 42.33703785 35.59279010 4.92733315 3.24389965 -7.78639250 Ta 38.99672726 43.74768957 35.41966599 2.70594868 2.24792106 -0.65903679 Ta 38.31179820 39.91676734 38.04481381 -12.18496094 0.93324472 -7.76021003 Ta 39.21482139 41.32834798 39.39270031 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441.49353141 781.23610633 Ta 38.89907654 38.78189103 40.53948115 -26.05618415 -43.89007590 41.49758802 Ta 37.94461080 35.74261275 42.18721395 3.53950585 -4.55414890 0.12565632 Ta 38.12916194 36.70695039 44.19030476 0.16913295 0.47134821 4.01469953 Ta 35.43069564 38.23086571 41.97211293 -28.67924270 -1.72383380 -32.75387554 Ta 36.42887513 38.47270716 43.41340346 -67.89897416 -51.30147802 80.31274211 Ta 39.57675406 35.82057797 40.36075280 -7.83378904 0.33262215 13.14429227 Ta 41.28776017 36.19319799 41.58108167 -2.85697241 -2.54604749 -27.74110181 Ta 42.70049871 38.11044418 39.54517714 6.43347282 -1.17184887 2.51238585 Ta 43.94519205 38.67959423 41.55818853 10.46161143 -4.06662211 0.56720519 Ta 42.60437339 35.84146651 42.87721153 -197.18512616 -368.52944079 -484.48365702 Ta 43.03051693 36.54690680 43.86382492 218.76691038 360.99113132 503.13299204 Ta 40.43037883 37.34997499 42.93269114 -482.86432326 -895.87157993 -1243.97812704 Ta 40.73197581 37.93178151 43.73913803 472.91736121 908.44283352 1257.13664072 Ta 35.25170013 40.18090577 39.59067296 -54.26736315 175.47252603 81.35076983 Ta 35.88964157 40.63921445 41.35561163 1.74105511 -5.60567628 21.25421430 Ta 37.06801554 41.87418116 40.20406123 -41.18723692 -25.99940570 -32.08624187 Ta 38.26349909 42.81615835 40.95389340 41.73990946 38.41654638 28.31818186 Ta 37.69609892 39.24809073 42.83453445 93.52124771 59.04677923 -41.98454237 Ta 38.93260870 41.70718749 43.69452641 -316.75023607 -369.00920928 330.65781711 Ta 35.12793110 42.38065286 42.43510723 -39.55718086 -29.46976679 -36.23926073 Ta 36.05890576 43.30926818 43.50069935 36.48993689 34.64276871 41.37597814 Ta 39.65044751 40.00270304 39.62880815 133.74331110 -261.77174899 28.20609769 Ta 40.61523353 41.24364225 41.32914233 -0.69272176 -2.81941761 3.82980106 Ta 41.61774168 42.49058949 39.96789775 8.89092822 3.58195365 -0.63336787 Ta 43.40891102 43.96077703 41.48146250 -1.79352688 -0.48964951 0.74462997 Ta 42.06732595 39.44487690 41.77351639 -7.52921587 3.77663374 5.35139794 Ta 43.42600964 41.62636665 43.83867001 2.00230747 -3.53545648 -0.19637469 Ta 39.63264827 42.53283765 42.96044858 313.14998612 371.26357758 -323.77462508 Ta 41.91130840 43.21896619 43.82818159 -0.16267932 3.90275199 -1.03720472