32 Lattice="42.0 0.0 0.0 0.0 42.0 0.0 0.0 0.0 42.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=82.99657763176045 stress="-0.007817591749937415 0.00019273635235689276 -0.00018966005395658459 0.00019273635235689276 -0.0075175592847766355 -9.335149923416443e-05 -0.00018966005395658459 -9.335149923416443e-05 -0.007635425348122613" free_energy=82.99657763176045 pbc="F F F" Zr 20.81845710 20.81601751 21.04684578 -7.67649499 -7.07402959 -3.39483580 Zr 22.43053312 22.22809477 20.88348180 -4.72525471 5.94574365 -17.35245076 Zr 22.78475322 20.98341465 22.61981896 -8.35035110 -19.64450829 3.91237557 Zr 20.95587345 22.50955273 22.56729228 -17.18840996 0.11708973 -13.26405806 Zr 23.59054130 20.77328590 21.07022621 5.32348051 -14.59334575 -17.67239104 Zr 25.60537101 22.20641190 21.26767637 13.22001279 3.49017165 -14.42289709 Zr 25.21243667 20.79960156 22.39723558 10.71685875 -17.51380830 5.90619035 Zr 24.17842378 22.64553500 22.64594781 -7.80760554 -10.83630642 -10.75016400 Zr 20.95785282 24.24717822 20.78013645 -10.65738851 -2.78526127 -6.02605018 Zr 22.60469827 25.23012412 20.79215497 0.26883409 14.34156724 -12.81447440 Zr 22.65055857 24.40384327 22.60385572 -16.51744877 -0.92214156 -3.07639661 Zr 20.84912793 25.72006661 22.76532928 -10.89282698 12.20353139 -5.75544830 Zr 23.82377323 23.75787668 21.29338723 3.92220356 -3.16449701 -25.55780216 Zr 25.23348799 25.33184279 20.91380054 8.47271005 9.26054504 -15.75180371 Zr 25.73598149 24.38610457 22.70500540 35.36199621 -6.07858395 -7.15017106 Zr 24.29484008 25.20693653 22.64283106 -8.29218154 30.07114726 -16.18473951 Zr 20.81428451 21.26838441 24.28218414 -19.34633051 -27.99312088 -7.32488978 Zr 22.23956860 22.40102208 23.84500492 5.37029888 4.07751395 -5.34893176 Zr 22.39374320 21.22491354 25.46546017 -6.74799417 -16.56127614 22.55140520 Zr 20.87675125 22.53607761 25.23867883 -18.56441505 9.66892732 23.90287651 Zr 23.72887404 21.08968929 24.42739928 8.49618268 -22.60694948 -8.17479198 Zr 25.27352891 22.73624620 23.76322458 31.65806505 -11.42956316 15.67995129 Zr 25.32386925 20.90022344 25.30134800 13.49979159 -6.93194222 7.31055549 Zr 23.75463684 22.53084563 25.43926330 10.09454004 11.91474599 22.52673611 Zr 20.81382609 24.00882294 23.76785629 -18.40179607 4.85992974 -3.17203129 Zr 22.60878037 25.77852494 23.99226861 -2.02378055 19.79280292 1.97614353 Zr 22.27647775 23.93918063 25.41995536 5.28609392 4.49910374 17.28089324 Zr 20.94810878 25.30703665 25.37772354 -10.97442012 10.46318087 10.97742021 Zr 24.11434322 24.02758335 23.74079411 -9.00939737 -2.54055533 22.88361023 Zr 25.28715336 25.70457492 23.91186948 16.91509398 24.74974237 10.80968379 Zr 25.69802343 24.28763180 25.57529174 9.31086076 -3.88526349 10.51722671 Zr 23.88270105 25.54781467 25.44893536 -0.74092693 9.10540996 16.95925927