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:Z:I:1:forces:R:3 energy=6453.216657127922 pbc="T F F" Cm -0.04979557 -0.21906462 -0.07340038 96 3203.87599644 -3360.01279278 -7899.63078486 Cm 1.20228961 1.68480154 -0.18681471 96 15130.14332722 5404.76394137 -21859.20171728 Cm 1.77469621 -0.17815848 1.50556483 96 -4686.58499811 -2657.08448658 6656.63579598 Cm 0.19489986 1.39771989 1.25757104 96 -13647.43432555 612.33333799 23102.19670616