32 Lattice="82.7906665802002 0.0 0.0 0.0 82.7906665802002 0.0 0.0 0.0 82.7906665802002" Properties=species:S:1:pos:R:3:forces:R:3 energy=-199.83210082501853 stress="-0.000705099096314555 0.00018742298369791763 -1.1091453926061692e-06 0.00018742298369791763 -0.0006856021397407741 6.035229378180811e-05 -1.1091453926061692e-06 6.035229378180811e-05 -0.0007004362488021669" pbc="F F F" Ba 41.50988845 41.31069304 41.61178933 -8.29443420 -0.42066359 -10.38159042 Ba 44.55627214 44.73948617 41.46198968 -2.87824127 -18.13278929 -4.26717321 Ba 44.17731334 41.57363909 44.29773538 21.64415560 -7.51406954 9.03289432 Ba 41.43809468 44.19820633 44.57262889 -12.43826701 21.41191325 -18.09474116 Ba 47.27417207 41.37030244 41.57485153 0.12139303 -5.49029412 -5.65532250 Ba 50.11552182 44.50574518 41.44704848 5.07820406 -2.62658406 -7.96420038 Ba 50.46442452 41.39535947 44.57498756 5.44442290 -3.57672741 -6.58067740 Ba 47.46984449 44.15800415 44.29088623 -12.95457218 10.74248001 8.47954781 Ba 41.44375583 47.06651626 41.41899253 -6.50219657 5.98075315 -0.04615792 Ba 44.51076889 50.43047541 41.32537018 -6.31160158 3.70079547 0.12159213 Ba 44.17421299 47.24178780 44.52108387 24.66824271 6.46042161 -18.22104170 Ba 41.49004214 50.39541859 44.31580059 0.11427010 1.44329079 -0.56060662 Ba 47.13075176 47.55046403 41.49468525 10.02129000 -1.02030865 -4.92430712 Ba 50.38108565 50.40323329 41.55976317 2.50457513 3.79456937 -6.13661613 Ba 50.12185094 47.43162630 44.15177063 5.51218062 -6.16329398 8.67807540 Ba 47.44279753 50.35991540 44.30208107 -8.36043894 5.93383418 8.02804930 Ba 41.43635373 41.62663951 47.23141366 -5.47148726 -17.46561969 14.87163880 Ba 44.25059265 44.58396739 47.44964683 9.57994421 -12.11013791 -6.46620880 Ba 44.25326802 41.34099906 50.18790451 1.90666246 -1.01650133 0.72171940 Ba 41.36691094 44.47818013 50.20586364 -3.83336050 0.82591106 4.03354656 Ba 47.53043561 41.29880654 47.23636505 -10.70667372 -2.78913873 0.20154351 Ba 50.16286449 44.49615514 47.11369555 6.12782745 5.15033838 7.48356948 Ba 50.09451366 41.69702330 50.30021204 6.43305557 -3.03916445 3.05713778 Ba 47.13576405 44.31368955 50.04544389 1.60616631 5.15952113 7.62340719 Ba 41.56788402 47.35518720 47.07876419 -29.09322346 6.13461506 18.09686674 Ba 44.49447022 50.13933239 47.55063524 -5.43186654 24.19772976 -21.01917030 Ba 44.17864863 47.53169967 50.16340195 6.17209257 -17.58632117 21.35910381 Ba 41.42274920 50.29026969 50.24818153 -7.02497445 4.91839597 0.88584979 Ba 47.23533035 47.44995300 47.45899093 3.52254947 -14.35454600 -15.66924825 Ba 50.34506045 50.04163422 47.28409636 5.78452298 9.19222623 -8.51721871 Ba 50.12583926 47.55665319 50.22589843 13.95508491 -20.92599016 10.26361950 Ba 47.50017902 50.22465490 50.14533129 -10.89530238 19.18535469 11.56611909