32 Lattice="7.0 0.0 0.0 0.0 7.0 0.0 0.0 0.0 7.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=30.614594807562238 stress="-599.7994384044378 5.9176492380068595 -30.912675145948725 5.9176492380068595 -574.589170580578 -20.84510583287249 -30.912675145948725 -20.84510583287249 -618.6894200819384" pbc="F F F" Zr -0.14459490 0.11115480 0.11044915 -5.89580110 -10.38325772 -11.10844220 Zr 1.95960170 1.56143450 -0.16166483 -5.03107669 6.74282662 -10.68602958 Zr 1.53829595 -0.16490224 1.92410596 6.76878902 -18.94939504 -8.04375143 Zr -0.22187219 1.76878885 1.57834452 -14.34039628 6.33081691 0.22890999 Zr 3.40278341 -0.04105180 0.20259391 -1.31974983 -18.07037455 -6.64696983 Zr 5.31504129 1.18195593 -0.13449789 11.13891248 7.48454638 -12.37145710 Zr 5.03802619 0.22277084 1.93584377 13.39245635 -32.49400432 -20.81705203 Zr 3.68362810 1.94581920 1.86060445 -15.37840579 -11.86638829 -2.49770062 Zr 0.26959405 3.67626233 -0.14597521 -11.94658275 -8.41084729 -19.08049097 Zr 1.95996341 5.24207130 0.15300231 -4.93728046 21.24063801 -22.54260978 Zr 1.78848316 3.45774659 1.57435701 -4.49037696 -13.45150705 3.57443328 Zr -0.04210664 5.13825682 1.52041603 -13.18877406 18.67080995 2.50739490 Zr 3.69178619 3.67895518 0.29140871 -5.94608477 -15.04685317 -44.31063058 Zr 5.36455359 5.28253581 0.14904689 10.04471913 12.47527452 -8.49499516 Zr 5.03091226 3.60609294 1.71603997 41.43748130 -5.11492424 8.43911778 Zr 3.30598025 5.07157598 1.76361598 7.02807371 35.51949822 13.14144646 Zr -0.14801295 -0.02432459 3.56329927 -20.70356097 -13.72152778 -3.09871241 Zr 1.44305158 1.52846858 3.19629901 11.62852963 14.36776754 10.30555718 Zr 1.59126820 -0.15859300 5.06668137 4.43308718 -15.69084092 9.39113615 Zr -0.08013605 1.49396547 5.34073906 -8.29290849 9.17034185 9.98025220 Zr 3.77219963 -0.06618674 3.63132919 -13.13949689 -14.26382511 7.99004233 Zr 5.50978669 1.47592512 3.28504734 22.47614289 24.68336888 16.95167592 Zr 5.43365717 0.50163549 5.33343331 6.46879418 -4.54442389 13.05029729 Zr 3.06876375 1.57899641 5.47094491 3.00381017 7.02900245 7.33192376 Zr 0.23171545 3.68190327 3.18320157 -17.59499895 -6.49478474 9.94869942 Zr 1.96219253 5.17485375 3.62990665 -7.31470381 24.36029154 -9.54209072 Zr 1.53220450 3.78278197 5.31210000 9.30416358 -32.51640922 14.88581613 Zr 0.13362859 5.07702941 5.32034430 -26.78280051 22.77825853 6.85808744 Zr 3.54852473 3.55473499 3.41561068 -8.28302369 -13.21350184 10.13309137 Zr 5.38661615 5.15480033 3.43555039 11.30276398 17.73216242 -1.31679901 Zr 5.04869006 3.61041876 5.01735611 17.05557269 -12.63764653 17.09089661 Zr 3.33533445 4.99148635 5.33611608 9.10272571 18.28490787 18.74895320