32 Lattice="6.0 0.0 0.0 0.0 6.0 0.0 0.0 0.0 6.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=66.02832579951162 stress="-2.2057587989340415 0.12140577823080036 0.10168717207214865 0.12140577823080036 -2.069509100570436 0.08916442949658772 0.10168717207214865 0.08916442949658772 -2.1255450333126236" free_energy=66.02832579951162 pbc="F F F" Si 0.23520322 0.24421963 0.09176916 -46.99117073 -14.20089286 -49.91670195 Si 1.64412622 1.51477119 0.29553441 6.38644440 42.99485048 -32.24952265 Si 1.34125301 0.00601457 1.20763472 12.37673529 -48.34965177 49.03791671 C 0.12771106 1.27521450 1.30705263 -17.59865258 12.57438723 15.18306237 Si 2.76269441 0.02805905 0.14120549 20.35931282 -29.76705313 -24.06694432 Si 4.21562917 1.26133895 0.32093824 11.72440990 25.07330034 -12.12190560 C 4.50198220 0.12907434 1.33296422 3.04803512 -15.18326252 12.71717131 C 2.74043896 1.50797851 1.78623850 28.17951465 8.90463614 -28.27029782 C 0.22778129 3.09831089 0.19527072 -2.13720120 -0.17163173 -4.61639434 C 1.62714898 4.69697198 0.40190457 -4.67610383 0.93807257 3.30223700 Si 1.43372255 2.98887480 1.73666665 -7.44243982 4.94334786 -33.33245159 C 0.17007825 4.52370377 1.68089640 -2.84722715 9.48054428 -12.87848416 C 2.78032633 3.17030635 0.03691384 -1.96547602 -4.41481139 -8.75795444 Si 4.20677130 4.58480646 0.22577322 10.65714737 4.17809367 -12.92067139 Si 4.64977756 3.09364432 1.77354104 12.55962744 -1.76489582 6.64415599 C 3.03273964 4.57675992 1.38803420 -5.01406263 9.29099911 11.54010013 C 0.29497883 0.29119256 2.77831641 -18.84695413 -6.58482775 0.71426925 Si 1.66188986 1.44564997 2.74841186 -34.89637475 14.72988893 25.93342181 Si 1.49214527 0.00795817 4.26680101 -13.28756662 -10.43218305 22.64773666 C 0.19215061 1.66717744 4.64995810 -6.84769135 -8.00553410 11.61022239 Si 2.75491735 0.16523617 2.88290997 41.83938399 -45.83077762 -4.65667642 C 4.16422858 1.35733739 3.18360837 22.56883541 15.38878128 -16.90311620 Si 4.62919136 0.14592855 4.32706660 15.72454495 -15.85705253 10.10034521 C 3.37114382 1.25068542 4.22822113 -17.25156269 11.10882352 21.87480845 Si 0.15154029 2.78973682 3.29811016 -34.31578895 -16.62100947 -3.16014912 Si 1.30076890 4.26010779 2.99582161 18.24618283 41.62230170 14.20073818 Si 1.55926218 2.86117434 4.73715536 18.34449407 0.63901448 17.07792756 Si 0.02704010 4.28209294 4.48656723 -13.60675605 16.34334917 17.56145097 C 2.98688953 3.20470050 2.49106815 6.77230922 2.16506718 5.75591378 C 4.62749873 4.77724960 3.11781300 0.30082358 -2.72516460 0.30600988 C 4.38846025 3.07714863 4.31605140 -0.62280522 1.20610479 -1.43965707 C 2.87406385 4.56660175 4.56387754 -0.73996731 -1.67281438 -0.91656059