32 Lattice="42.0 0.0 0.0 0.0 42.0 0.0 0.0 0.0 42.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=364.58777878258564 stress="-0.02481182113967779 0.0006301702435528931 -0.0012088466409881523 0.0006301702435528931 -0.022792905944895227 -0.0013318861450289316 -0.0012088466409881523 -0.0013318861450289316 -0.024784089834937968" free_energy=364.58777878258564 pbc="F F F" Ta 20.85540510 21.11115480 21.11044915 -31.11362839 -36.83631129 -46.68172588 Ta 22.70960170 22.34512630 20.83833517 -25.92348743 26.03893615 -45.30269446 Ta 22.31428531 20.83509776 22.36371066 -4.27101403 -37.36543387 24.54229198 Ta 20.77812781 22.51878885 22.29209888 -33.99619407 23.53831828 16.72482480 Ta 23.78262948 20.95894820 21.20259391 24.68801924 -61.53497137 -37.34533009 Ta 25.56504129 21.96425659 20.86550211 34.87515010 5.12848769 -43.14908958 Ta 25.28802619 21.22277084 22.68584377 24.62136006 -108.35805939 -82.10751352 Ta 24.18362810 22.69581920 22.34863482 -22.82620802 -30.71956760 2.62758753 Ta 21.26959405 24.17626233 20.85402479 -21.61705861 -47.21375772 -68.11614171 Ta 22.70996341 25.49207130 21.15300231 -12.97002204 61.01813509 -70.77278327 Ta 22.53848316 23.95774659 22.71726984 -42.70861463 -27.67853428 -28.54877935 Ta 20.95789336 25.38825682 22.04332575 -53.26828250 62.05853764 40.35985779 Ta 24.19178619 24.17895518 21.29140871 -28.72591252 -35.24914672 -150.27142161 Ta 25.61455359 25.53253581 21.14904689 37.49961752 45.80386457 -33.04862318 Ta 25.28091226 24.10609294 22.46603997 128.23720050 -28.70223911 40.88426815 Ta 23.80598025 25.32157598 22.51361598 15.11073153 108.25731750 37.29792296 Ta 20.85198705 20.97567541 24.06329927 -61.69935748 -41.59237301 -24.80436661 Ta 22.31835629 22.13983517 24.05286963 15.12546753 23.83404205 -15.91751068 Ta 22.34126820 20.84140700 25.31668137 23.85842700 -61.71213092 53.11100987 Ta 20.91986395 22.24396547 25.59073906 -34.99912267 24.22131519 40.08385527 Ta 24.27219963 20.93381326 24.13132919 -32.92771780 -39.88672273 26.57545201 Ta 25.75978669 22.22592512 23.78504734 74.64357452 77.74482276 86.01790144 Ta 25.68365717 20.94934360 25.58343331 19.97183100 -11.95717078 24.66210619 Ta 23.77778834 22.36811319 25.72094491 11.01141791 0.24148036 31.88929847 Ta 21.23171545 24.18190327 24.02253701 -80.68609504 -21.13490214 -23.95262997 Ta 22.71219253 25.42485375 24.12990665 -26.13975722 100.34406936 -22.97261129 Ta 22.28220450 24.28278197 25.56210000 58.53323875 -120.98318785 79.34815533 Ta 21.13362859 25.32702941 25.57034430 -117.02963430 110.32262171 38.23585050 Ta 23.75195432 24.05473499 23.91561068 38.76009891 -44.37601222 37.64062921 Ta 25.63661615 25.40480033 23.77804670 40.37815704 52.40600835 16.25791406 Ta 25.29869006 24.11041876 25.26735611 48.98696660 -27.29144004 32.39077743 Ta 23.83533445 25.24148635 25.58611608 34.60084853 61.63400433 64.34151821