32 Lattice="6.5 0.0 0.0 0.0 6.5 0.0 0.0 0.0 6.5" Properties=species:S:1:pos:R:3:forces:R:3 energy=-25.437626518448074 stress="-624.3968764680726 22.690090348482933 -3.4731568559246853 22.690090348482933 -588.664472769749 -13.594592384308044 -3.4731568559246853 -13.594592384308044 -658.451478433382" pbc="F F F" Ta -0.07998135 0.20070203 -0.29657041 -5.81417775 -9.06996178 -9.52820515 Ta 1.52585166 1.62293547 0.28187239 -9.11366308 -10.35131877 -36.02319158 Ta 1.63501192 -0.01546661 1.72670120 10.96350608 -34.88798735 -18.13531489 Ta -0.12206635 1.34404386 1.62582602 -30.53195219 30.08921332 -21.75673802 Ta 3.49624097 0.14302402 -0.14501107 -2.91585854 -13.44394453 -14.60041987 Ta 4.98542859 1.83447124 -0.14487149 14.54385977 -8.05823280 -15.90949476 Ta 4.92780714 -0.08666117 1.67145214 18.61215132 -6.59920902 -8.61339667 Ta 3.12241235 1.44730844 1.53549160 22.84122860 -15.07073954 9.76683223 Ta -0.14752380 3.06283932 -0.24794580 -7.04053179 1.75077324 -7.82313712 Ta 1.93709189 4.93488540 -0.29754255 -5.07203513 7.60705623 -12.45789340 Ta 1.78931082 3.06425730 1.61344065 -43.57537538 15.62055180 11.01589662 Ta 0.03277713 4.77471974 1.26430982 -5.67023013 7.61608331 0.55829147 Ta 3.09605274 3.03219307 0.21813893 9.42713173 11.23107707 -45.07403830 Ta 4.93984523 5.06910236 -0.16903503 1.48065831 2.91413697 -3.13138579 Ta 4.75701197 3.18300593 1.34502482 26.76321866 6.72610615 14.24833868 Ta 3.02696427 4.79161558 1.59012192 6.41314775 20.68689982 -22.86962986 Ta 0.22586561 0.29391194 2.97614529 -35.73841358 -48.34069315 26.66980962 Ta 1.64603145 1.40261356 3.41493895 20.77593579 31.45768833 -0.95794181 Ta 1.51862841 0.23573857 4.90224172 10.14024603 -26.25306655 28.07577529 Ta -0.22461850 1.32796332 4.72387301 -22.45549253 11.44675155 15.96945130 Ta 3.47083292 -0.21015034 3.09801097 -9.81253815 -19.21154313 10.23537236 Ta 4.79799150 1.53198366 3.43107110 20.87112592 10.78509174 -12.66781235 Ta 4.70325321 0.13102478 4.97495250 17.14110571 -25.72106294 13.51842262 Ta 3.51120756 1.63693751 5.12726748 -19.97978110 14.15630228 17.23882586 Ta -0.03568003 3.46486112 3.29247266 -10.43355494 -8.94286078 -12.71685519 Ta 1.82879337 5.11354596 3.01922180 -15.96843247 14.17693606 20.14932276 Ta 1.40729695 3.27031036 5.06245344 12.17466897 -7.97787438 10.99792791 Ta 0.02015752 4.75470777 4.85431846 -10.39855978 20.39933304 11.30107002 Ta 3.12871118 3.00213077 2.98125112 14.58441005 8.01805566 31.73113841 Ta 4.59324351 5.01116082 2.73185146 20.99221489 10.03662671 13.79720520 Ta 5.00468218 3.32521959 5.07394803 11.43351724 1.85489936 2.97500952 Ta 3.43543805 4.82960942 4.94827937 -4.63753027 7.35491206 4.01676489