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=634.3642256931932 stress="-0.004363093857644546 -0.0007913639701485096 -0.0005764661477260307 -0.0007913639701485096 -0.0043446741471451665 -0.00031436193619623293 -0.0005764661477260307 -0.00031436193619623293 -0.004259699683280144" free_energy=634.3642256931932 pbc="F F F" Te 35.06544699 35.55450310 35.15944481 -5.88176711 -2.69927966 -4.40181201 Te 36.77460324 36.21467872 36.76690582 -16.03122674 10.99863403 -10.82186736 Te 37.81703894 36.87267142 34.55403308 -0.76422279 1.12012285 -9.44918236 Te 38.87092295 38.54444233 36.27097969 3.93913141 3.88629341 -10.89003145 Te 37.78185564 34.67423500 37.70609579 -7.82722414 -43.85342608 -7.23107739 Te 38.67647898 36.20959245 38.49469792 -56.97691816 -17.28651386 -24.66520304 Te 34.78156831 37.88573857 37.65580038 -9.76835916 -0.04712889 -4.28441930 Te 36.65674937 38.03071159 39.24707370 -47.74231975 42.75393874 -22.80709157 Te 39.67714177 35.07454536 34.60149343 1.38953619 -3.40623931 -1.33351050 Te 41.60760404 36.71522721 36.00439459 -30.98311098 -13.13377929 17.97658467 Te 42.80820902 37.21963622 34.80539633 22.35020218 -5.89670656 -45.67392409 Te 43.35320685 38.69151616 36.04641741 17.87006473 14.37501143 8.47448672 Te 42.70438499 35.07550802 37.42010011 -17.07897287 -20.31891300 -14.42236146 Te 43.95988817 35.75446246 38.58168652 27.41982368 4.92786357 14.34484810 Te 39.86354409 37.00203356 37.88688112 49.57400125 21.21162070 -52.20357699 Te 40.83824509 38.35112862 38.68625418 23.25248453 21.50046507 11.34815245 Te 35.31841281 39.94751650 34.92139371 -21.54228354 -17.97402207 -27.63077520 Te 36.26796965 40.75121598 36.27048984 -10.89352506 -0.62018543 24.89436293 Te 37.24380690 42.09311868 35.40565462 18.17005875 18.92687510 -27.39416856 Te 37.83988220 43.61230136 36.89233762 5.35150214 13.29039285 3.28510098 Te 37.35617486 39.60694090 37.60696959 6.24451911 -0.02788972 13.18835391 Te 38.81343399 41.37996245 39.19332522 -45.92785070 13.95971422 -17.28182140 Te 35.29863537 42.71840054 37.76987678 -16.61623939 -7.23951901 -10.72098700 Te 36.24182058 43.80165555 39.23170838 -18.32857230 27.18011269 -2.49770091 Te 40.51842906 39.55243985 34.52038785 -0.44763508 0.75501823 -4.68587953 Te 41.53966064 41.15961708 36.55841029 -24.79412520 5.85535594 -33.67838263 Te 42.25499579 42.55534914 34.90095341 4.19243368 8.31998062 -12.45701039 Te 44.05057206 43.68393079 36.54543021 1.72903603 1.14916044 1.20577532 Te 42.62788573 40.32808439 37.53640482 33.58670966 -24.04215645 31.29032967 Te 44.00032572 41.73650826 39.35145451 26.18201477 -3.69240518 -7.57752860 Te 40.39090109 42.55800575 37.55517182 -36.08934487 -18.83973280 -47.95493325 Te 40.93842517 43.49120044 38.68450067 18.94582211 59.47103943 38.47512730 Te 35.37261936 35.49460844 39.99308332 -44.12128680 -58.61063974 -44.38319373 Te 36.09963249 36.49014761 40.86442550 20.22707117 33.24353229 54.72645745 Te 37.92223225 37.15983348 39.84540559 22.95372895 -10.75388646 39.60943141 Te 38.76442158 38.81754574 40.80695144 3.95964954 21.80255795 7.43097467 Te 37.40284988 35.30281345 42.92223314 -54.01119960 -31.78149804 -9.44159221 Te 38.81399505 35.95813019 43.28900512 43.59194106 2.91568593 32.16560785 Te 35.19919299 37.75841250 42.72405928 -27.49945452 -7.88564600 -15.90236155 Te 36.27933831 38.34951249 44.12458466 10.66673543 -1.67882018 36.99725008 Te 39.63213332 35.45906900 39.58604388 43.82692021 -50.48029608 52.40205670 Te 41.71914856 36.03019587 41.27581797 -13.14359339 -1.15508343 -0.16761896 Te 42.93579195 37.39650150 40.00842636 -2.85461403 -17.94952468 -33.79000072 Te 43.30991366 38.59445980 41.19500920 24.46774122 24.56984565 20.59008186 Te 42.71419249 34.61367604 42.42006226 7.99546272 -13.45378551 10.11203737 Te 44.15754354 36.80369587 43.64190589 0.88905052 0.37295595 1.55709462 Te 39.53578513 37.40006741 42.20214372 19.65758135 14.46007152 -0.78504770 Te 41.59308776 38.45954800 44.21366766 -2.70219782 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4.01061830 Te 43.41958417 41.36824608 43.49564588 7.28336144 7.89058137 6.82196298 Te 39.46241249 42.45127958 42.75126359 19.89677001 20.27576092 -19.57778002 Te 40.85683667 43.69242952 43.48512663 18.08211412 15.57791696 10.44495214