4 Lattice="3.0 0.0 0.0 0.0 3.0 0.0 0.0 0.0 3.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=592453.9105332963 stress="-2220796.1510037463 -32503.89642055321 -817818.1884575456 -32503.89642055321 -1851781.618631597 512635.54581199214 -817818.1884575456 512635.54581199214 -3049643.130960081" pbc="F F F" Fr 0.29499333 0.28731797 -0.01696146 -1113674.83896219 -358301.50677741 -1708835.91338136 Fr 1.73247184 1.47882972 0.29791347 609764.29649269 1000664.93234023 -538052.16356388 Fr 1.26578367 0.15225916 1.39015213 1074332.47016821 -1164253.18067869 1853300.73301216 Fr -0.23324985 1.24965713 1.53608039 -570421.92769870 521889.75511588 393587.34393307