32 Lattice="21.0 0.0 0.0 0.0 21.0 0.0 0.0 0.0 21.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=84.20345259109841 stress="-0.016193384694088955 -0.00031728287448420375 0.0004312712229504723 -0.00031728287448420375 -0.014658685552642266 0.000363037957616835 0.0004312712229504723 0.000363037957616835 -0.017024942841716104" free_energy=84.20345259109841 pbc="F F F" H 10.25205420 10.65488783 10.55988540 -8.25021731 -10.98254977 -6.12194320 H 10.97447038 11.23065430 10.31425730 1.92988976 -0.82675746 -12.83150527 H 11.16378306 10.53277713 11.13538250 1.47097447 -9.43258257 -2.53680775 H 10.37366136 11.21097674 11.03219307 -8.31091966 8.21512977 7.65910071 H 12.21813893 10.26716069 10.69410236 -12.76700385 -10.27924709 -18.35737781 H 12.58096497 10.94644304 10.43300593 7.52975627 8.23317290 -8.50382936 H 12.47002482 10.27696427 11.16661558 14.48597887 -7.01654887 20.77299018 H 12.00888363 11.47586561 11.26442724 15.55000249 -7.07556433 11.97435534 H 10.22614529 12.02103145 10.27761356 -3.79422638 1.99164827 -6.79452501 H 11.43220204 12.64362841 10.73573857 -1.37699356 7.43192326 -6.82193057 H 11.46998162 11.58261082 10.95296332 -13.49121451 1.59340469 -1.88830847 H 10.40219505 12.85519765 11.27095654 -4.98188479 17.36943562 -8.87323039 H 11.98551452 11.93582425 10.40698366 3.43626410 2.78218575 -14.70513723 H 12.93107110 12.57825321 10.63102478 6.93370278 5.48899058 -12.64730677 H 12.84995250 12.26120756 11.26193751 12.04498291 -9.97633297 1.15116658 H 12.25226748 12.71431997 11.49467841 -1.40567162 16.52055094 -3.59362113 H 10.57236142 10.70379337 12.23854596 -36.32290350 -34.38145860 -4.14000375 H 11.01922180 11.03229695 12.02031036 23.00714866 12.79850695 -31.50862641 H 11.43745344 10.52015752 12.62970777 3.29925072 -4.58226031 18.73527985 H 10.77711528 11.12871118 12.50213077 -6.83299611 29.16039023 38.71342916 H 11.73125112 10.21824351 12.13616082 8.33205674 -15.36437137 -7.84578501 H 12.51429260 11.20826254 12.36701335 2.95650207 8.99823729 -26.94211383 H 13.04977655 10.77486149 12.66167367 16.86147928 -11.60413078 2.24276888 H 12.34887918 11.16311436 12.87961200 -14.18031040 2.31372941 28.16922652 H 10.37425859 12.37456851 11.55169624 -5.56493135 -15.59760775 5.66560357 H 11.33891732 13.04768454 11.77498314 -0.10967884 8.56892976 3.09336171 H 10.84280631 12.17130636 12.97562371 2.60762970 1.17730125 5.31559887 H 10.20220318 12.32200509 12.60541431 -6.22126915 1.80973471 4.45129215 H 11.89917148 12.25424220 11.84838096 -8.47399799 -6.35444920 15.13648769 H 12.96005355 12.96211731 11.94968690 6.79098796 8.43893386 5.48161615 H 13.04594673 12.22193156 12.58662914 5.04691065 0.17008067 4.22064567 H 11.87508581 12.72664413 12.99122900 -0.19929843 0.41157515 1.32912895