32 Lattice="63.52983856201177 0.0 0.0 0.0 63.52983856201177 0.0 0.0 0.0 63.52983856201177" Properties=species:S:1:pos:R:3:forces:R:3 energy=-160.3256567940694 stress="0.00012611177345296326 3.0442760666682086e-06 -7.628516178225633e-06 3.0442760666682086e-06 0.00011965820231356783 -8.744032529896862e-06 -7.628516178225633e-06 -8.744032529896862e-06 0.00011955349991305931" pbc="F F F" Zr 31.64442353 31.85754828 31.85696024 1.08343517 0.78116696 0.81466009 Zr 34.20851017 33.87670417 31.63019859 -0.77109129 0.73105855 0.85809176 Zr 33.88549854 31.62750075 34.15085389 -0.09548289 0.62257226 -0.29614496 Zr 31.58002579 34.07115726 33.89079585 1.12968059 -0.11830235 0.21566746 Zr 35.96950702 31.73070945 31.93374754 0.79295422 0.38572826 0.86391326 Zr 38.62588877 33.79105828 31.65283771 -1.22231159 0.37863748 1.10307092 Zr 38.36483816 31.95056165 34.18871189 -0.21973671 -0.52802210 -1.24255939 Zr 36.45578831 34.19702476 34.15621716 -0.99616880 -1.47964392 -0.83134025 Zr 31.98958099 36.44965017 31.64327327 0.43295631 -0.61481974 0.40118487 Zr 34.20881159 38.56508044 31.81395073 -0.22407108 -0.28910798 0.18945772 Zr 34.06591139 36.26755372 33.76227436 -0.47538179 -0.54755671 0.72420226 Zr 31.72983042 38.47856838 33.84252211 0.80867089 -0.28552562 0.06592444 Zr 36.46258671 36.45189421 32.00775987 -0.12888648 -0.75584518 -1.46659192 Zr 38.66714902 38.59880088 31.88912503 -0.94530703 -0.85159736 0.98709465 Zr 38.38911458 36.14266295 34.00554206 1.58868617 0.71762332 0.09125968 Zr 36.14108177 38.42300101 34.04518874 0.65525951 0.81819297 0.41779195 Zr 31.64157516 31.74464879 36.35551428 0.82927827 1.02736903 -0.37394274 Zr 34.23067766 33.84923257 36.10895156 -0.91276369 0.34096698 0.54434613 Zr 33.90156558 31.63275845 38.41892217 0.21152192 0.81526872 -0.71242486 Zr 31.69813924 33.82047998 38.64730358 1.14842842 0.32221161 -1.04020160 Zr 36.52959791 31.70976366 36.41220589 -0.76466074 0.48183170 0.41840986 Zr 38.78817661 33.80544636 36.12363767 -0.23294385 1.15107288 1.30165499 Zr 38.72473534 31.93399197 38.64121546 -1.05507190 0.89909138 -0.91065471 Zr 36.03339481 33.87505970 38.75580846 0.31261859 0.38118924 -0.83333496 Zr 32.00664495 36.45435095 35.94300768 0.24944785 -0.42603412 0.87761705 Zr 34.21066920 38.49401108 36.41102044 -0.58976745 0.08194211 -0.42634627 Zr 33.85234584 36.53841654 38.62343770 -0.02870393 -1.40145743 -0.44046935 Zr 31.80962531 38.59479723 38.63030795 0.70167974 -0.69247843 -1.06983810 Zr 36.34320217 36.34837738 36.23244046 -0.26120265 -0.45544867 0.82502109 Zr 38.68553449 38.49235464 35.95328542 -0.85345490 -0.81508862 0.02728485 Zr 38.40392942 36.39478053 38.37781779 -0.40516943 -0.69851163 -0.72712494 Zr 36.16554360 38.27363605 38.64345110 0.23755854 0.02351642 -0.35567897