32 Lattice="63.52975044250491 0.0 0.0 0.0 63.52975044250491 0.0 0.0 0.0 63.52975044250491" Properties=species:S:1:pos:R:3:forces:R:3 energy=-160.32577848734093 stress="0.00012610841537347115 3.044473155712382e-06 -7.6285605863455506e-06 3.044473155712382e-06 0.00011965508525172143 -8.744250189556631e-06 -7.6285605863455506e-06 -8.744250189556631e-06 0.00011955003923689302" pbc="F F F" Zr 31.64437947 31.85750422 31.85691618 1.08343381 0.78115442 0.81463977 Zr 34.20846296 33.87665697 31.63015453 -0.77109349 0.73106676 0.85806946 Zr 33.88545133 31.62745669 34.15080668 -0.09548372 0.62254452 -0.29612756 Zr 31.57998173 34.07111005 33.89074865 1.12966115 -0.11828424 0.21566518 Zr 35.96945666 31.73066539 31.93370348 0.79295913 0.38570939 0.86389357 Zr 38.62583527 33.79101108 31.65279365 -1.22229624 0.37863702 1.10305728 Zr 38.36478466 31.95051759 34.18866469 -0.21971449 -0.52803583 -1.24258117 Zr 36.45573796 34.19697755 34.15616996 -0.99618432 -1.47967202 -0.83133534 Zr 31.98953693 36.44959981 31.64322921 0.43292349 -0.61484306 0.40116335 Zr 34.20876439 38.56502694 31.81390667 -0.22405723 -0.28908394 0.18944584 Zr 34.06586418 36.26750336 33.76222716 -0.47539541 -0.54756351 0.72418882 Zr 31.72978636 38.47851488 33.84247491 0.80865662 -0.28548136 0.06591784 Zr 36.46253636 36.45184386 32.00771581 -0.12888481 -0.75584516 -1.46663018 Zr 38.66709552 38.59874738 31.88908097 -0.94530518 -0.85159883 0.98709661 Zr 38.38906108 36.14261259 34.00549486 1.58874610 0.71761922 0.09123973 Zr 36.14103141 38.42294751 34.04514153 0.65525981 0.81823675 0.41780451 Zr 31.64153110 31.74460473 36.35546393 0.82926111 1.02736376 -0.37394694 Zr 34.23063045 33.84918536 36.10890120 -0.91280228 0.34097782 0.54434244 Zr 33.90151838 31.63271439 38.41886867 0.21152583 0.81525274 -0.71239422 Zr 31.69809518 33.82043277 38.64725008 1.14841950 0.32222308 -1.04019815 Zr 36.52954756 31.70971960 36.41215553 -0.76465508 0.48179812 0.41840589 Zr 38.78812311 33.80539915 36.12358732 -0.23291912 1.15108209 1.30167597 Zr 38.72468184 31.93394791 38.64116195 -1.05506734 0.89908971 -0.91064856 Zr 36.03334445 33.87501249 38.75575496 0.31263146 0.38120053 -0.83330531 Zr 32.00660089 36.45430060 35.94295733 0.24943932 -0.42606626 0.87765685 Zr 34.21062199 38.49395758 36.41097008 -0.58976104 0.08195880 -0.42635498 Zr 33.85229863 36.53836618 38.62338420 -0.02871351 -1.40149432 -0.44046149 Zr 31.80958125 38.59474373 38.63025445 0.70166472 -0.69246321 -1.06983399 Zr 36.34315181 36.34832703 36.23239011 -0.26121405 -0.45543319 0.82503726 Zr 38.68548099 38.49230114 35.95323506 -0.85345289 -0.81507386 0.02728472 Zr 38.40387591 36.39473018 38.37776429 -0.40514382 -0.69852992 -0.72711145 Zr 36.16549324 38.27358254 38.64339760 0.23756196 0.02355398 -0.35565573