32 Lattice="6.0 0.0 0.0 0.0 6.0 0.0 0.0 0.0 6.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=118.52353378601958 stress="-4.331459597055122 0.2588547022129903 -0.33700824872341567 0.2588547022129903 -3.640394383031084 -0.253302008746615 -0.33700824872341567 -0.253302008746615 -2.525640191867644" free_energy=118.52353378601958 pbc="F F F" Ag 0.03320948 0.04148264 0.05646809 -9.69871897 -6.25015215 -12.47907780 Ta 1.63762269 1.85928010 0.02184289 -11.15493320 -21.78258891 -20.92990593 Ta 1.65019543 0.13350600 1.50466448 -11.99681732 -22.95625702 3.44584333 Ag 0.23454065 1.53480345 1.53310309 -52.35779422 3.91872700 23.75836189 Ag 2.94490912 0.23956773 0.14408857 -15.79826247 -12.06559621 -29.93418766 Ag 4.47537525 1.70902946 0.16265408 69.25546451 -130.45909685 -110.15234362 Ta 4.45874788 0.01892190 1.06475547 39.02693098 -2.82311992 26.18536300 O 2.80708301 1.70446841 1.82516628 -15.55630019 -24.13466511 -26.72645801 Ag 0.03839703 2.95376057 0.11951579 -37.83939182 12.82506624 -15.33839863 O 1.52890616 4.33475562 0.23604525 -4.19017997 22.32162403 -28.89408646 Ta 1.44125040 3.22475079 1.27927999 -10.25030456 -2.47529490 60.64778682 O 0.27544140 4.29973054 1.73501990 -19.53501640 11.96210936 -3.55420930 Ta 3.05210001 2.81331141 0.22596246 13.18352142 56.34120926 -36.72583094 Ta 4.50736779 4.50505582 0.29382780 11.57161230 14.41878328 -17.55854189 Ag 4.44619412 2.84376228 1.26820562 18.95190867 91.56108472 121.42222411 Ag 2.95203735 4.76111147 1.50536392 14.65381002 7.71278449 -4.58868370 O 0.42461510 0.10381406 2.74202060 -4.27079346 -2.03903551 -8.49265309 O 2.01266393 1.28858747 2.94187781 -92.34812464 -33.47054104 -37.93232325 Ta 1.63215382 0.11069124 4.37689326 -29.58501739 -28.48047819 7.11296900 Ta 0.21576549 1.77680686 4.59967038 4.76766499 7.24828849 2.91105476 Ag 2.99640474 0.06224969 2.84915582 28.80813999 -47.71249606 19.98232620 O 4.48058377 1.26986142 3.13236414 28.66529501 3.71104045 -40.87788190 Ag 4.23944939 0.01619234 4.30772007 47.82470935 -45.19247961 32.84152850 Ta 3.03790681 1.23395044 4.45586175 -6.76977531 33.73369163 48.47708600 O 0.11659162 3.35931507 3.21343394 -22.50382316 -21.02546263 -4.71455585 Ta 1.60637032 4.77733759 2.78561866 -24.79049708 23.53160183 50.15524934 O 1.70717120 3.35657192 4.20911045 -7.03794353 -17.09168200 11.94297332 O 0.15623813 4.57923027 4.41987493 21.83495621 16.93033293 -24.93915991 Ag 3.08742632 2.49109374 3.13311255 52.46655490 101.30385701 -4.66062313 O 4.50743936 4.30175050 3.12085271 5.91075956 11.01084944 -13.48019033 Ag 4.34738753 2.99753797 4.47076775 33.43125802 -19.16084452 31.68035380 O 3.02187569 4.26410200 4.41588292 -14.66889221 18.58874047 1.41599131