32 Lattice="45.64588050842286 0.0 0.0 0.0 45.64588050842286 0.0 0.0 0.0 45.64588050842286" Properties=species:S:1:pos:R:3:forces:R:3 energy=-43.108286416046404 stress="0.00035632125746654135 -0.0006885844503685463 -0.00014397767158716093 -0.0006885844503685463 0.000544853625017762 -5.79460504442875e-05 -0.00014397767158716093 -5.79460504442875e-05 -0.0005949879942252574" pbc="F F F" C 22.73052100 22.93722705 22.88477651 -1.86628855 -1.12007675 -1.54603078 C 24.54934788 24.09234332 22.93717645 1.03248202 0.07980538 -2.54267843 C 24.08748833 22.73415118 24.35887571 0.63402355 -2.74394715 0.35184903 C 22.80529846 24.22166564 24.22748042 -2.70562526 0.84062147 -0.07288025 C 25.98068867 22.78873042 22.99004807 2.34750808 0.04292295 -2.25078573 C 27.76777138 24.21036647 22.71085868 -3.72113331 -7.32489292 10.41361613 C 27.53692547 23.00858262 24.60802008 2.73972161 4.18414884 -9.05123870 C 26.47127737 24.62467621 24.56263651 1.97913346 -1.11182167 -3.09893490 C 23.13235297 26.12852361 22.70198259 -1.77867099 -0.15900773 -2.32516285 C 24.83332059 27.58612050 23.04246601 0.26123779 2.40592238 -1.94293134 C 24.65977894 25.92742287 24.42925753 -0.99311911 -0.81544998 0.26102315 C 22.71563375 27.49258008 24.15550726 -2.07382852 1.67924360 0.10898850 C 26.09510581 26.15789927 22.83483435 -0.01460283 -0.39362384 -3.67514035 C 27.75784891 27.53406199 23.07621919 1.93538653 1.66982397 -1.61609008 C 27.58090169 25.92381895 24.56177594 3.16866162 0.01910350 0.09159602 C 25.76689158 27.55525083 24.49181120 -0.55061940 2.88710531 0.03574906 C 22.66707675 22.98445221 25.94207692 -2.47508565 -1.77084898 0.39129363 C 24.56278092 24.12767823 25.98046550 0.30706706 0.36365566 0.06435634 C 24.26504537 22.87900076 27.80573140 0.12753704 -1.99559346 1.78945165 C 22.77368642 24.05446613 27.70054320 -1.47073186 0.60401879 1.70375295 C 26.50664212 22.79048606 26.00561920 -0.16147362 -2.40553780 -0.13525816 C 27.68252865 24.09881538 26.08826050 1.99009435 -0.55129755 0.22916241 C 27.69149266 22.98147486 27.71892432 1.32231044 -1.19895380 1.96995990 C 25.83572503 24.56078831 27.75456875 13.02613317 10.56362881 1.44590794 C 23.12522379 26.31824010 26.15256240 -2.09257732 -0.87028563 -0.02314924 C 24.63992531 27.62121507 26.22825334 -0.55327298 2.22809474 0.29245171 C 24.33195521 26.48883974 27.57300514 -0.83371746 -0.33739917 1.58946839 C 22.75287821 27.58635345 27.78898849 -1.64166042 1.27819453 1.56320183 C 26.02355404 26.35990218 25.91196184 -0.00052864 0.30033887 0.32199298 C 27.62085941 27.41027986 25.74622576 2.29994232 1.66649895 0.27625137 C 27.65927938 25.97895310 27.62776888 -63.73214668 47.32220316 6.94783659 C 26.12931006 27.65267398 27.74750823 53.49384355 -55.33659449 -1.56762875