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=442.81420990172035 stress="-0.0006421627330772028 -0.0002456781281589079 -0.00012454265041284652 -0.0002456781281589079 -0.000836984636332078 -0.0004182572714265597 -0.00012454265041284652 -0.0004182572714265597 -0.0008768324260920629" free_energy=442.81420990172035 pbc="F F F" Ta 35.35913086 35.07045593 35.18297087 -0.94684489 -2.24334990 -2.52428787 Ta 36.21656096 36.46643940 36.70798776 10.47573735 -2.40549143 -5.42530241 Ta 37.69868334 37.96873047 34.78724519 -1.42279107 -1.05844574 1.64256110 Ta 39.00293725 39.01399827 36.60780621 -2.05209909 12.21523954 -2.28527545 Ta 37.87381453 35.09532889 37.95046044 -16.99634458 -23.12192234 -7.44900192 Ta 38.67768623 36.32384981 38.32431545 -1.54181962 5.81422277 15.98861503 Ta 35.08317511 37.68707573 37.62256710 -13.23765167 5.15240640 1.02439995 Ta 36.56205622 38.66737535 38.54974630 8.03432289 7.91071940 -1.96160685 Ta 40.06619741 35.10584402 34.79923495 -1.56768244 0.18691171 -2.58547537 Ta 40.61360239 36.05580300 36.72458870 6.56652360 -1.71492125 -16.10064264 Ta 42.47235776 37.68315227 34.92645575 -12.61436386 -11.60572809 -6.17689399 Ta 43.32112580 38.86215380 35.96012365 15.68215812 0.48103572 3.38859293 Ta 41.89132064 35.11704369 37.67561835 7.47011502 -10.45221367 4.11049523 Ta 43.26068650 36.69612729 38.27072779 4.26247426 4.04765936 -6.58959807 Ta 39.66600260 37.32872596 37.45047255 11.17594622 21.97746075 -3.37951160 Ta 41.91567264 39.04578499 38.26322692 -8.58397615 -14.06141153 13.44494586 Ta 35.41196370 39.63356075 35.46088052 -7.22172948 -23.55614099 -17.07480890 Ta 35.80020687 40.90359161 36.50093095 -15.89415389 13.98584345 6.05387565 Ta 37.76976819 42.67309287 34.67265508 -3.03558648 -5.27080041 0.48536418 Ta 39.11677768 43.76508792 36.26236833 -2.92033740 5.59639248 1.76910033 Ta 37.09646113 40.84501215 37.05581331 31.33947638 3.01654375 11.08835854 Ta 38.46973798 41.10633424 39.14330249 16.54951904 -9.44095114 -9.62435844 Ta 35.33072186 42.84167567 37.63092645 -11.12051467 -20.97463770 -14.13926991 Ta 35.76156088 43.98805177 38.44047419 13.06700291 20.91514861 17.14621864 Ta 40.44730735 40.47030690 34.56594767 -10.92184863 -5.44217573 -8.36838029 Ta 41.74074254 40.99167486 35.85444589 -3.89398278 9.21419460 -9.14888599 Ta 42.87485590 42.44243362 34.79458541 -4.53452155 -3.12535958 -16.22915141 Ta 43.81012935 43.31446472 36.17377410 5.81965776 5.11541891 16.44973770 Ta 42.44221940 40.29149003 37.12254819 7.36860472 8.72775598 11.70717668 Ta 44.14374367 40.85537431 38.45644875 3.70925319 3.26488214 4.16601949 Ta 40.28112848 42.16891333 37.09106141 -3.06207444 -5.53502760 4.16834173 Ta 41.29303118 43.79831260 38.43971014 1.27836247 2.92213248 -2.22617586 Ta 34.99457350 34.63033256 40.59074362 1.09052030 1.26830045 0.17865584 Ta 36.71420824 36.67781120 41.17167700 1.61244960 -3.62524052 4.32173588 Ta 37.65102111 37.36659227 39.74545312 0.45051074 3.85050023 1.69382038 Ta 38.80069338 38.96177651 41.01680725 -13.52627244 -2.59440877 -1.55902382 Ta 37.47959309 34.56799019 42.14525559 0.84627937 -0.85673190 0.01767186 Ta 39.01567944 36.15426349 43.88508834 -1.08373966 1.51774658 -1.37702109 Ta 35.11710779 37.36619517 42.35566502 -7.14215836 1.63924045 1.46660056 Ta 36.61455737 38.66489227 43.76654600 -4.50775733 -9.93639608 7.80318242 Ta 40.15426073 34.66094410 39.23356144 3.23162585 -3.20570770 8.07213781 Ta 41.65330392 36.67712754 41.52457627 -12.64792199 -1.76045293 2.24903164 Ta 42.86047368 37.56814306 40.21845944 -5.78165640 -13.59119384 -19.79273114 Ta 43.37434930 38.60168233 41.14599262 18.99654761 15.68490888 6.60816526 Ta 42.48918047 35.02000943 42.20578592 3.86168854 -8.47849280 2.06625728 Ta 43.42399104 36.61227854 44.09953603 -1.71477153 3.52970852 -2.26252949 Ta 39.93888509 37.78105885 42.19057059 0.67179170 -4.56794924 6.92642583 Ta 41.03458290 39.09376845 44.00998790 -4.07189549 0.53360450 4.40400699 Ta 35.10824588 39.86772222 39.78360927 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-1.50637768 Ta 40.39388333 42.29388832 42.89534354 -13.77115408 -9.33882078 -0.30106006 Ta 41.32023254 43.28300964 44.01023444 13.00178356 9.74467539 11.67429798