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=-56.45399658271494 stress="0.00014331241058733986 2.5392903477956023e-05 7.824276559296732e-05 2.5392903477956023e-05 0.00017141457951281225 4.0428860628271075e-05 7.824276559296732e-05 4.0428860628271075e-05 0.00020175229843406327" free_energy=-56.45399658271494 pbc="F F F" O 34.70458673 34.62568797 35.10766123 0.06885914 0.06829287 0.03947523 O 36.55601395 36.46531894 36.16769245 1.84937113 -3.82458741 3.06722441 O 36.85851240 38.18038016 34.71177767 0.91976219 0.02232624 0.88099995 O 38.67423776 38.59945861 35.79703522 -0.27924350 0.56447882 -1.38586179 O 37.11938827 35.25256714 37.14956136 -1.99456181 4.06157512 -3.34552781 O 39.24685027 36.37455400 38.35017965 1.58744154 2.42196499 -2.50209422 O 34.99303602 37.86944110 37.53787365 1.26236445 0.64209931 0.58675212 O 36.64525894 38.79506684 38.38682156 -0.42382940 -1.25616712 0.84640858 O 39.97761206 34.97814922 35.34116750 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44.23347639 -1.57579731 -3.00609159 -4.30127365