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=97.56804578090497 pbc="T T F" C -0.12320595 -0.04105180 0.20259391 6 -118.75884896 -84.42642407 -65.59238347 C 0.81504129 0.45865944 -0.13449789 6 83.54713282 26.43320530 -97.73830053 C 0.53802619 0.22277084 0.93584377 6 129.90575031 -169.37013839 121.15098147 C 0.18362810 0.94581920 0.89685009 6 -94.69403417 227.36335717 42.17970253