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=20552366.101381287 pbc="T T T" Bk 0.21542188 -0.13745298 0.01886020 97 -22841656.06495023 -28677106.72437716 -25152166.62882203 Bk 0.69576808 0.98839520 0.00003141 97 119844458.39574151 75150295.36137234 -124160536.64964238 Bk 1.01741370 0.19307059 0.51703360 97 41625915.98032314 -17911005.92888568 31151398.98895207 Bk 0.05191908 0.74459105 0.54153097 97 -138628718.31111455 -28562182.70810943 118161304.28951250