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=1289.1060819546915 stress="-0.03720868106043254 -0.00028463944443568796 0.0004562616112784354 -0.00028463944443568796 -0.0403173459403358 0.00013991632683472657 0.0004562616112784354 0.00013991632683472657 -0.040416169621801196" free_energy=1289.1060819546915 pbc="F F F" Te 20.88090187 20.86136659 21.05835534 -26.00902988 -29.99029002 -21.95829308 Te 22.24645637 22.48193431 20.92001865 -16.16849153 -39.30484120 -84.27425990 Te 22.70070203 20.70342959 22.40085166 -35.55401503 -79.41305551 -19.84763942 Te 20.99793547 22.78187239 22.51001192 -99.70220775 -50.03813462 -15.85608291 Te 24.20433867 21.10170120 20.87793365 -1.08422595 -59.54204116 -65.35096177 Te 25.21904386 22.50082602 21.24624097 101.46067253 -6.90804102 -110.27419016 Te 25.64302402 20.85498893 22.61042859 72.23983969 -63.96893590 -29.13251388 Te 24.50924779 22.35512851 22.55280714 -1.95779301 -24.94886659 -23.27456456 Te 20.91333883 23.84655491 20.87241235 -50.74622890 15.25602415 -52.41203475 Te 22.32230844 25.41049160 20.72286420 -15.16866413 52.36768597 -53.95724484 Te 22.43858073 23.75205420 22.65488783 -43.04545519 31.68689901 -56.98443929 Te 21.05988540 25.20245745 22.66431082 -73.20933082 81.51917586 -40.13592150 Te 23.81425730 23.98844065 21.03277713 12.49066572 13.52432205 -104.87288017 Te 25.39971974 25.37366136 20.96097674 46.63197530 57.22866128 -73.67101129 Te 25.28219307 24.40357698 22.26716069 130.28011419 -7.79577776 -15.50512024 Te 24.14871178 25.33096497 22.38201197 -27.38485291 136.25072505 -31.98586482 Te 20.93300593 20.72002482 23.77696427 -35.40176663 -43.04692651 13.92361257 Te 22.41661558 22.46512192 24.22586561 -59.32697387 -76.03163248 32.15778605 Te 22.79391194 20.72614529 25.52103145 -25.93422797 -50.87166929 43.69285912 Te 20.77761356 22.68220204 25.39362841 -58.57422212 -35.34621600 54.48985958 Te 24.30901794 21.02724172 23.77538150 -14.45978072 -124.19494537 23.15757997 Te 25.20296332 22.34887301 24.22083292 140.08581298 -29.43285170 13.46168283 Te 25.28984966 20.98735431 25.42299150 46.78698960 -60.62349313 64.89785599 Te 24.10688089 22.68107110 25.32825321 -23.16983041 -53.07148928 131.32973940 Te 21.13102478 24.22956449 24.13546615 -91.44821592 -12.62423315 6.77521822 Te 22.51193751 25.75226748 24.12152404 -10.67254091 115.87679790 6.26482982 Te 22.54396501 24.07236142 25.70379337 -20.56805220 4.56877914 108.55442272 Te 21.23854596 25.26922180 25.28229695 -62.94144321 84.23899233 84.12690085 Te 24.02031036 24.18745344 24.02015752 30.84460496 49.44795447 24.27484967 Te 25.37970777 25.77711528 23.87871118 59.17082450 73.97320999 19.19456141 Te 25.25213077 23.73125112 25.21824351 125.99810255 57.70941834 91.77601910 Te 24.13616082 25.26429260 25.62968218 26.53774705 73.50479514 81.41524528