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=-16.78682190003397 stress="7.192401603615516e-05 2.636559402122933e-05 3.2069098779586704e-05 2.636559402122933e-05 0.00011550893578124858 4.795029809019607e-05 3.2069098779586704e-05 4.795029809019607e-05 0.0001276680172782745" free_energy=-16.78682190003397 pbc="F F F" H 35.49727498 34.80559404 34.71950152 -0.00024225 -0.00512785 -0.00532551 H 36.07872596 36.54737297 36.49255833 -2.94546577 3.41348596 1.70765570 H 37.26319119 37.39154520 35.87632051 -0.31799505 1.10640163 1.04776333 H 37.88730946 38.81849239 36.20090618 -0.82486355 -2.02026412 -0.50117915 H 37.56803858 35.25685248 37.56478365 -0.00355661 -0.03921122 -0.01072710 H 38.92309287 35.99854655 39.11677768 2.49908807 -3.49069752 3.26261518 H 35.01508792 37.20628871 37.09646113 4.08636140 -2.54848887 -2.32917670 H 36.53711894 38.53941914 38.55015762 1.26235455 -0.13672167 1.25912338 H 39.80278561 35.58443754 34.92993874 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42.86981386 37.88944406 0.49946311 0.77760707 1.64049876 H 35.41645014 43.54060279 39.29452827 -0.60884262 -0.75842882 -1.66836229 H 40.29449926 40.08061992 35.54824029 2.37148699 4.34586441 2.38501185 H 40.90113416 41.19467996 36.15776925 -2.47250405 -4.36642733 -2.29403639 H 42.43368597 42.19075556 35.32944610 0.01805496 -0.03593530 -0.10899947 H 43.20630144 43.42712140 36.55881600 0.05844823 0.07663872 0.05777471 H 42.92712754 40.31278576 37.86047368 2.03242132 5.59549235 2.48872151 H 43.35378625 41.46845944 38.37434930 -2.04131438 -5.63947684 -2.52023218 H 40.06623441 42.06467347 37.45674830 0.04668078 -0.02516871 -0.05363694 H 41.76136525 43.80415158 38.46619082 -0.10348088 0.06417314 -0.06270772 H 35.49640413 34.94883672 39.93888509 0.71752305 2.65863513 2.92615910 H 35.76295578 35.94057059 41.03458290 -0.73915089 -2.64185408 -2.97879533 H 37.66324961 38.46065453 39.71359035 -1.23825692 0.06549783 -1.33891432 H 38.13972190 38.64860955 41.70081753 -1.57209765 5.68036244 3.87274558 H 37.27308663 35.12996758 42.32801495 1.10067270 0.52802277 1.43865936 H 38.20065450 35.60545138 43.56336788 -1.07090954 -0.55064019 -1.40781953 H 35.15131030 37.92903887 42.25881642 0.86739833 0.90109813 0.99862098 H 36.04310740 38.83692648 43.27976704 -0.90885171 -0.89533674 -0.97184257 H 39.58905584 35.07359302 39.96471096 -2.53918500 3.45158796 -3.19440054 H 41.34547395 36.16872970 40.66026998 0.65229838 0.75493944 -0.64938572 H 42.25979155 37.17723384 39.73873431 -2.48713833 2.71071813 -1.03907433 H 43.07111988 39.41099808 41.25795546 -0.32654847 0.21908336 7.34522949 H 42.49962965 34.88273186 42.02810999 0.01901715 -0.02496227 0.02107015 H 43.66727912 36.26785951 44.12760712 -0.00165256 0.00590570 0.00005312 H 39.75982953 37.30205743 42.76286481 0.01611244 -0.01914332 -0.01833811 H 41.02027505 38.69684664 44.14046231 0.01168837 0.01973630 0.01315308 H 35.31130127 39.83077413 39.66597872 -0.03953428 0.03583163 0.02552603 H 36.04388832 41.64534354 41.32023254 -0.01676722 0.01708702 0.04977463 H 37.22285889 43.11860746 39.72154239 0.11191109 -0.02912951 0.00963460 H 38.79578603 43.88188942 41.40294995 0.01214367 0.00172620 0.01409108 H 37.90113524 39.50274470 42.27776417 1.62153766 -5.64065089 -3.84387107 H 39.16092744 41.95095049 43.86344250 -0.08116612 0.00089801 0.04957370 H 35.37283489 42.69263251 42.57879343 3.15271781 3.69641418 3.67909573 H 36.06677778 43.51917747 43.40309958 -3.12557957 -3.72757463 -3.71856453 H 40.57081773 40.00393433 39.40036635 -0.04461381 0.07689491 0.02107952 H 40.58648682 41.56114598 41.83135656 0.93106675 2.40157579 7.18013968 H 43.00728329 43.01256035 39.60717625 0.05846954 -0.03722782 0.08030004 H 43.35379531 44.16496255 41.28635793 0.01227246 0.03664270 0.05502803 H 43.02278363 39.44263978 42.35353760 0.32033848 -0.21157741 -7.34916996 H 43.96118609 42.04227307 43.75561547 -0.00354763 -0.00230143 -0.00435566 H 40.72627277 41.92694662 42.92386297 -0.87327798 -2.46389367 -7.25557654 H 41.66551517 43.80518987 43.40828761 0.01811682 0.04754433 0.01442422