32 Lattice="10.5 0.0 0.0 0.0 10.5 0.0 0.0 0.0 10.5" Properties=species:S:1:pos:R:3:forces:R:3 energy=23222.971654680503 stress="-165.9283837646446 -4.8908062451719685 44.075784894682506 -4.8908062451719685 -54.89845457741737 17.193506414554435 44.075784894682506 17.193506414554435 -19.99920402077565" free_energy=23222.971654680503 pbc="F F F" He 5.40021162 5.08960828 5.51991512 -0.20370871 -1.07018406 -0.57903812 He 5.70652058 5.56329259 5.17396773 9.17361640 -26.17245890 -19.48745498 He 5.47538677 5.44432328 5.69806889 -1.78492153 0.64319562 -2.75736588 He 5.69122863 5.94666675 5.64503245 -2341.55941512 -3306.17956593 -14936.89414963 He 6.17466796 5.20743153 5.16161117 -0.00425456 0.00688369 0.00841626 He 6.32117653 5.86355495 5.64934634 -195.45270378 -189.16295355 -591.22928599 He 6.52056181 5.11226157 5.71413000 -0.00736418 0.00814393 0.00033738 He 5.78825069 5.63119377 5.68014051 6.82393199 -26.29375899 -5.20161131 He 5.50661098 5.95211418 5.18686118 -674520.15688927 -511313.33324445 325083.10869593 He 5.61396269 6.03358334 5.13503403 674233.56341815 511697.56913929 -325527.11356470 He 5.59350347 6.04205956 5.85548495 -865398.63418474 360248.31216230 128169.16785194 He 5.20998418 6.39980873 5.29159254 0.00482845 -0.00411045 0.00478339 He 5.62186759 5.80589506 5.35755087 272.51145944 -366.40825381 444.26712840 He 6.40730345 6.01731617 5.41493431 -42.97112733 27.38130303 -23.37488616 He 6.64323351 6.08274246 5.25222703 69.00935777 19.13670634 -47.58997321 He 6.06933311 6.58250448 5.77734210 -0.00513028 -0.01758844 0.00138229 He 5.29660052 5.27029402 5.96712854 -6.87852615 -6.51389908 -2.06326987 He 5.88645442 5.90036081 5.86370899 30551.78033339 -16537.89482291 5344.99058500 He 5.50292236 5.49394778 6.15233532 69.36250784 190.43143800 -167.23580615 He 5.43529054 5.30125682 6.32896283 -64.89491355 -186.78227654 173.30472564 He 5.79454061 5.14000216 5.99785061 0.00805979 -0.16979577 -0.10620213 He 6.60950041 5.77805039 6.08034124 13.80029385 -8.28746274 11.71982522 He 6.25465415 5.28712174 6.54627804 0.12731353 -0.22749507 0.33654401 He 6.05761893 5.46473140 6.20277422 -0.11808343 0.29866630 -0.29312999 He 5.56268172 5.85292911 5.96165381 -1163.44699584 -3944.26455376 2402.93140388 He 5.61936150 6.56001407 6.39428689 1957.20554020 822.54718530 -1252.97196629 He 5.56070108 5.94447827 6.37511915 0.00707046 0.16084720 0.62080694 He 5.43883006 6.48415376 6.50984409 -1957.52694500 -822.57011725 1253.00105036 He 5.72533153 5.98776703 5.83575876 838354.21599904 -336422.11263273 -120956.97447757 He 6.38196747 5.91473491 5.88688826 155.66539103 150.92459698 650.43003858 He 6.63453303 5.58346377 6.55285929 0.06348565 0.04194010 0.02185795 He 6.05793946 6.57242965 6.34029154 0.32255650 0.00296636 -0.04325118