64 Lattice="5.0 0.0 0.0 0.0 5.0 0.0 0.0 0.0 5.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=2463.54535502 stress="-38.545920869355285 -4.6071690685679165 -4.678927788539808 -4.6071690685679165 -32.25916285880383 -3.701897148835378 -4.678927788539808 -3.701897148835378 -32.6448235721756" pbc="F F F" C 0.22086729 -0.01689004 -0.22903346 -539.57784893 -580.45744076 -201.18989008 C 0.52642137 0.31072417 -0.11403553 481.42507912 506.68264389 204.49543788 C 1.12409462 0.97516294 -0.15882206 53.86393396 58.78429019 -24.06254564 C 1.72134999 2.27265688 0.33890753 -85.31886316 -5.41799580 -113.08483046 C 1.54428433 0.24064375 1.51200555 -145.37658054 -94.22266265 -105.22958063 C 2.10553443 0.47259444 1.86685685 173.63786519 7.10113215 59.31582662 C -0.09128290 1.23069883 1.36819962 -31.84764152 -1.32103085 -91.20429482 C 0.93104684 2.20136534 2.61589105 62.72547944 562.02831491 244.93408921 C 2.92055159 0.06153166 0.04153483 -265.66465065 -72.83799548 -188.27602441 C 3.42512441 0.11545746 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