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=87241.80736201108 pbc="F F T" Th 0.07504936 0.08939362 0.28244035 90 -79534.15713240 -183513.21661789 -159701.63560001 Th 1.70868000 1.31754225 0.24273186 90 60638.21009775 121857.79915408 -58870.30430053 Th 1.62752652 -0.20977436 1.47434815 90 76155.74484921 -104104.33187047 105076.01348030 Th -0.26515080 1.32289136 1.63522415 90 -57259.79781457 165759.74933428 113495.92642025