64 Lattice="70.0 0.0 0.0 0.0 70.0 0.0 0.0 0.0 70.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=3221.208948048243 stress="-0.008066546082424915 -0.00018107527775001762 -0.00022716374759373996 -0.00018107527775001762 -0.008101292040383842 -0.0002697827918579425 -0.00022716374759373996 -0.0002697827918579425 -0.008004572079514893" free_energy=3221.208948048243 pbc="F F F" Si 35.42032358 35.20618254 35.13208278 -16.79219882 -23.64872345 -24.78016414 Si 35.89027990 36.09783946 36.17857288 -8.13516494 -8.45530913 -2.43253866 Si 37.43629371 37.35688597 34.82845499 -4.32716597 -7.30401145 -28.22437413 Si 38.84340871 38.61136847 35.89796191 -1.61632298 -6.32666805 -19.73772846 Si 37.47579451 34.66934135 37.42732094 -3.20472209 -27.42839410 -5.14727430 Si 38.30670149 36.70683445 38.68224913 -7.91529052 -17.72975238 -11.77126607 Si 34.62318784 37.40712363 36.81178276 -29.01243817 -2.20617210 -1.42037534 Si 35.90417992 39.19980146 39.08592517 -24.67501048 -4.91088020 -0.05725661 Si 39.89810616 34.89377634 35.41177341 -4.75326555 -24.96515602 -20.08269078 Si 41.15019835 35.83038615 35.99235299 12.08433027 -14.75303109 -16.20686624 Si 42.16847990 37.95675865 35.25108204 1.95009368 -9.82809682 -31.68625207 Si 43.29922158 38.51330885 35.85296040 35.13709648 2.28545027 -13.24499841 Si 42.85239068 35.01240128 37.45234021 14.14597948 -30.57975931 -5.25670040 Si 43.39294486 36.52923994 37.87111228 27.48462145 -6.25001291 -1.61695315 Si 40.22271639 37.02688392 37.97212270 4.46648758 -21.71229281 -9.05244358 Si 40.79471943 38.47412651 38.37202061 12.54410287 3.47983903 -3.08153986 Si 35.27479808 39.19872391 35.40822129 -20.78452221 2.84146069 -21.10033774 Si 36.15028003 41.36586036 36.18980610 -19.96059303 10.40061929 -19.20649097 Si 37.20603072 42.75406269 34.89327316 -8.60069615 15.11960683 -26.44856563 Si 38.64076477 43.47175198 36.41230082 -6.37658404 29.31781002 -20.40298801 Si 37.19129751 39.92645798 37.20461784 -11.40716918 -1.19575715 -12.16188073 Si 38.28706234 40.76661553 38.79501306 -5.76157376 6.75365831 -3.24070764 Si 35.18520417 42.39311133 37.91595197 -27.19520923 12.49190515 -5.20305124 Si 36.25453629 44.11552680 38.67674599 -14.57637423 29.36254358 -2.16230651 Si 39.79808805 40.13089724 35.12882103 2.12056971 4.92458760 -32.97130851 Si 40.83137826 41.28469850 36.43948077 9.37051336 9.42121404 -16.05302896 Si 42.01331553 42.71092282 34.98918040 7.92986465 10.76597169 -23.15882744 Si 43.42717606 43.97355317 35.77737440 16.02200407 16.80670043 -6.64759535 Si 42.70181805 40.16222008 37.20352564 20.55217594 3.00696994 -11.36297942 Si 43.73023129 41.16452591 38.48129710 31.80738053 9.52122360 -0.62223774 Si 39.60011972 42.80170100 37.52594550 4.35021414 19.09454609 -6.32767093 Si 40.89846397 43.40520039 39.07416640 2.83091875 37.26107627 -3.13583789 Si 35.47300258 34.67760347 39.36794942 -17.27706739 -21.42634986 0.87785713 Si 35.91888433 36.22597691 40.94409626 -20.99200605 -14.02786395 7.60592576 Si 37.99334471 37.00194958 40.21715574 -10.08819185 -15.59693802 11.79219728 Si 38.31790752 39.00169681 40.96351202 -8.23860777 -5.16473899 0.35407564 Si 37.59515911 34.88768723 42.69722767 -5.53127197 -24.68895641 13.16741160 Si 38.46906347 36.66473439 43.98202144 -1.69155630 -13.79502348 28.77240851 Si 34.88183094 37.20538658 42.99903148 -24.14218937 -10.17694953 13.04627315 Si 36.20091276 38.59235956 43.57843220 -15.63256538 -0.32212740 24.78983011 Si 39.94812464 35.10022228 40.26732138 4.22113514 -30.68115087 4.99362152 Si 41.63267404 36.58920072 41.32942884 10.04410919 -17.62609114 11.36249784 Si 42.93778783 37.70228217 40.08359169 22.82649713 -10.23351314 -0.39108351 Si 43.94768116 39.03751895 41.17966492 31.38067681 -0.15961091 6.29234200 Si 42.81233213 34.89959451 42.41368242 9.73799615 -21.21068700 7.85818917 Si 44.02808356 36.03668820 44.02148302 13.05707328 -5.74850134 14.54588442 Si 39.50649783 37.76424761 42.45743679 5.61841563 -13.82957632 20.24291405 Si 41.46307134 39.05605714 43.43537890 5.46336674 -11.24675438 37.17165543 Si 34.52035043 40.57772715 40.45876915 -30.45714270 1.63861850 3.32816950 Si 36.31009551 41.35562370 41.66140345 -16.75247243 10.76380839 12.04682307 Si 37.70526147 42.89810745 39.66305633 -11.23796345 21.76504114 2.78484043 Si 39.09372838 43.37776143 41.08010818 -3.99961133 32.17150615 11.16511549 Si 37.98347639 39.70148834 42.39973678 -11.75898237 0.38783419 20.95770097 Si 38.27243702 40.78554092 43.57825187 -2.95098137 13.64564270 36.52963801 Si 34.52831572 42.84543225 42.07558670 -20.82127218 14.57726930 9.26814601 Si 36.68716591 43.33490468 44.01498291 -7.08646787 14.94355423 17.76958679 Si 40.14052059 40.15846720 40.24631588 5.76334812 -0.01532609 -1.14017754 Si 41.23598089 41.32163680 41.32532020 21.47755761 10.41651353 5.92442618 Si 42.00070564 42.51156910 39.38273709 28.08082831 13.28938356 1.15800178 Si 43.86856859 43.80302833 41.71281563 16.09313926 15.64999204 5.52299735 Si 42.07945678 39.90649301 42.40918995 21.60340110 4.97250307 12.64043153 Si 44.14549445 40.83223766 43.45938940 20.77687338 6.18734399 16.79011575 Si 40.23312465 42.11862041 42.15449275 -1.81549795 21.01428116 25.72694296 Si 41.13815069 43.54228350 43.74594210 6.62737826 18.96570103 21.05047854