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=-25.437626518447807 stress="-0.008427773410917723 0.0003062586430796322 -4.687880433975813e-05 0.0003062586430796322 -0.007945476632784653 -0.00018349250059805522 -4.687880433975813e-05 -0.00018349250059805522 -0.008887424123115497" free_energy=-25.437626518447807 pbc="F F F" Ta 20.92001865 21.20070203 20.70342959 -5.81417775 -9.06996178 -9.52820515 Ta 22.52585166 22.62293547 21.28187239 -9.11366308 -10.35131877 -36.02319158 Ta 22.63501192 20.98453339 22.72670120 10.96350608 -34.88798735 -18.13531489 Ta 20.87793365 22.34404386 22.62582602 -30.53195219 30.08921332 -21.75673802 Ta 24.49624097 21.14302402 20.85498893 -2.91585854 -13.44394453 -14.60041987 Ta 25.98542859 22.83447124 20.85512851 14.54385977 -8.05823280 -15.90949476 Ta 25.92780714 20.91333883 22.67145214 18.61215132 -6.59920902 -8.61339667 Ta 24.12241235 22.44730844 22.53549160 22.84122860 -15.07073954 9.76683223 Ta 20.85247620 24.06283932 20.75205420 -7.04053179 1.75077324 -7.82313712 Ta 22.93709189 25.93488540 20.70245745 -5.07203513 7.60705623 -12.45789340 Ta 22.78931082 24.06425730 22.61344065 -43.57537538 15.62055180 11.01589662 Ta 21.03277713 25.77471974 22.26430982 -5.67023013 7.61608331 0.55829147 Ta 24.09605274 24.03219307 21.21813893 9.42713173 11.23107707 -45.07403830 Ta 25.93984523 26.06910236 20.83096497 1.48065831 2.91413697 -3.13138579 Ta 25.75701197 24.18300593 22.34502482 26.76321866 6.72610615 14.24833868 Ta 24.02696427 25.79161558 22.59012192 6.41314775 20.68689982 -22.86962986 Ta 21.22586561 21.29391194 23.97614529 -35.73841358 -48.34069315 26.66980962 Ta 22.64603145 22.40261356 24.41493895 20.77593579 31.45768833 -0.95794181 Ta 22.51862841 21.23573857 25.90224172 10.14024603 -26.25306655 28.07577529 Ta 20.77538150 22.32796332 25.72387301 -22.45549253 11.44675155 15.96945130 Ta 24.47083292 20.78984966 24.09801097 -9.81253815 -19.21154313 10.23537236 Ta 25.79799150 22.53198366 24.43107110 20.87112592 10.78509174 -12.66781235 Ta 25.70325321 21.13102478 25.97495250 17.14110571 -25.72106294 13.51842262 Ta 24.51120756 22.63693751 26.12726748 -19.97978110 14.15630228 17.23882586 Ta 20.96431997 24.46486112 24.29247266 -10.43355494 -8.94286078 -12.71685519 Ta 22.82879337 26.11354596 24.01922180 -15.96843247 14.17693606 20.14932276 Ta 22.40729695 24.27031036 26.06245344 12.17466897 -7.97787438 10.99792791 Ta 21.02015752 25.75470777 25.85431846 -10.39855978 20.39933304 11.30107002 Ta 24.12871118 24.00213077 23.98125112 14.58441005 8.01805566 31.73113841 Ta 25.59324351 26.01116082 23.73185146 20.99221489 10.03662671 13.79720520 Ta 26.00468218 24.32521959 26.07394803 11.43351724 1.85489936 2.97500952 Ta 24.43543805 25.82960942 25.94827937 -4.63753027 7.35491206 4.01676489