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=98548.18970865227 pbc="F T F" Np -0.14566994 0.15113386 -0.23525756 93 -78727.40561573 -58515.70118759 -43093.26521945 Np 1.29259532 1.25424222 0.22758819 93 89504.38387336 313753.92767823 -301796.50788769 Np 1.48731008 -0.01814294 1.30314009 93 88168.06753375 -285989.79900281 256562.92907275 Np 0.00079310 1.26792283 1.57614138 93 -98945.04579139 30751.57251217 88326.84403438