64 Lattice="70.0 0.0 0.0 0.0 70.0 0.0 0.0 0.0 70.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=12602508.36925128 stress="-150.94056596182756 -18.511251161757915 35.268490286908516 -18.511251161757915 -134.3235256308457 16.955850079612517 35.268490286908516 16.955850079612517 -156.60482350258562" pbc="F F F" Ba 34.96400430 35.02034421 35.79891491 -61821.78900587 -50880.20795017 -4425.23328858 Ba 36.54606589 36.31907037 35.90942709 -5620993.61335956 -18273723.51757299 10543876.95507203 Ba 36.89187124 37.43411812 35.26792165 5681718.01613875 18323399.64305449 -10543308.58821971 Ba 38.82782297 38.87567087 36.54800129 -2620937.64003523 3522862.83508226 -2327238.28875638 Ba 37.85945315 35.08507220 38.16297548 -12462.23360837 -32910.76892964 -12526.38159156 Ba 38.68593912 36.95489513 38.91341213 3351056.55291462 -1782258.88042964 -3423663.23361583 Ba 35.65711578 36.73115739 38.42321354 -238.75229930 7703.17369373 -12647.51503200 Ba 36.05258943 39.56931260 38.80842979 7668117.38486833 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1063325.21072132 2068733.84622912 Ba 42.99371471 37.11874247 40.34697422 -12747123.44010939 6224955.05679798 14791286.44232758 Ba 43.54156484 38.10683021 41.61747229 342158.22631832 97793.23692174 538790.93330958 Ba 42.36006376 34.67837202 42.66264975 -144665.81111111 -193686.65042572 -155436.94106897 Ba 43.31708902 35.89387100 43.68981082 149478.20887894 189333.91429663 160717.27271591 Ba 40.13912469 37.23825707 42.48633057 -105161.42146921 -94028.22282971 -115775.54459182 Ba 41.27058561 38.52337455 43.23557390 158492.01155150 182397.55100173 108624.22890249 Ba 34.69909068 39.55477673 39.28454071 -7853256.51835548 -84123.58533741 2762471.46256870 Ba 36.68732485 41.09368746 41.50026824 -168964.70611794 195428.72720482 -289727.70992729 Ba 37.82450652 42.17291803 40.31023715 28130.24518201 253491.12491357 243986.26894350 Ba 38.95759752 43.77182240 41.68257214 -2845050.42726723 3417537.83151858 -4121698.59160571 Ba 37.03640899 40.06187152 42.92097295 5936923.38945819 5096292.21201385 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