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=-25.437723937265883 stress="-0.008427682887176215 0.0003061454299922102 -4.687511908712957e-05 0.0003061454299922102 -0.007945431840120813 -0.0001834745865131616 -4.687511908712957e-05 -0.0001834745865131616 -0.008887422670994774" free_energy=-25.437723937265883 pbc="F F F" Ta 20.92001865 21.20070203 20.70342959 -5.81448626 -9.07018454 -9.52834779 Ta 22.52585166 22.62293547 21.28187239 -9.11434546 -10.35019791 -36.02437023 Ta 22.63501192 20.98453339 22.72670120 10.96364739 -34.88967088 -18.13527732 Ta 20.87793365 22.34404386 22.62582602 -30.53209573 30.09010225 -21.75706786 Ta 24.49624097 21.14302402 20.85498893 -2.91624457 -13.44388465 -14.60018968 Ta 25.98542859 22.83447124 20.85512851 14.54437038 -8.05877928 -15.90981421 Ta 25.92780714 20.91333883 22.67145214 18.61104063 -6.59915129 -8.61226884 Ta 24.12241235 22.44730844 22.53549160 22.84162897 -15.07055116 9.76693685 Ta 20.85247620 24.06283932 20.75205420 -7.04009498 1.75057356 -7.82280926 Ta 22.93709189 25.93488540 20.70245745 -5.07203334 7.60699135 -12.45717970 Ta 22.78931082 24.06425730 22.61344065 -43.57384760 15.61996242 11.01703949 Ta 21.03277713 25.77471974 22.26430982 -5.66967614 7.61554266 0.55806853 Ta 24.09605274 24.03219307 21.21813893 9.42751463 11.23191141 -45.07490607 Ta 25.93984523 26.06910236 20.83096497 1.48055780 2.91405659 -3.13131714 Ta 25.75701197 24.18300593 22.34502482 26.76308704 6.72698442 14.24834501 Ta 24.02696427 25.79161558 22.59012192 6.41055149 20.68692058 -22.86886723 Ta 21.22586561 21.29391194 23.97614529 -35.73969287 -48.34250748 26.67075063 Ta 22.64603145 22.40261356 24.41493895 20.77745304 31.46048289 -0.95944375 Ta 22.51862841 21.23573857 25.90224172 10.13949292 -26.25380919 28.07702699 Ta 20.77538150 22.32796332 25.72387301 -22.45511452 11.44669294 15.96982853 Ta 24.47083292 20.78984966 24.09801097 -9.81099784 -19.21066343 10.23459743 Ta 25.79799150 22.53198366 24.43107110 20.87057985 10.78513568 -12.66821311 Ta 25.70325321 21.13102478 25.97495250 17.13978808 -25.71957058 13.51829985 Ta 24.51120756 22.63693751 26.12726748 -19.97913537 14.15491858 17.23878582 Ta 20.96431997 24.46486112 24.29247266 -10.43368606 -8.94337473 -12.71725703 Ta 22.82879337 26.11354596 24.01922180 -15.96713969 14.17655138 20.14791598 Ta 22.40729695 24.27031036 26.06245344 12.17400483 -7.97704640 10.99784191 Ta 21.02015752 25.75470777 25.85431846 -10.39781153 20.39887145 11.30150646 Ta 24.12871118 24.00213077 23.98125112 14.58374589 8.01772098 31.73128972 Ta 25.59324351 26.01116082 23.73185146 20.99323117 10.03651467 13.79801644 Ta 26.00468218 24.32521959 26.07394803 11.43309462 1.85471512 2.97474507 Ta 24.43543805 25.82960942 25.94827937 -4.63738680 7.35474259 4.01633450