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=14572074.136399701 pbc="T T T" Lr -0.07793083 0.25217648 0.05042104 103 -74021312.31529209 -59434266.61181238 -20698403.58567045 Lr 0.66978907 0.73786548 -0.07192612 103 70801139.77007332 40779331.97028019 -25008059.89666009 Lr 0.56021683 -0.06264504 0.98233972 103 24719988.98367107 -51706998.40406768 12688823.74448869 Lr 0.18107628 0.75851837 0.81436079 103 -21499816.43845226 70361933.04559997 33017639.73784185