4 Lattice="1.5 0.0 0.0 0.0 1.5 0.0 0.0 0.0 1.5" Properties=species:S:1:pos:R:3:forces:R:3 energy=0.714567760416162 stress="-0.28299687657025707 -0.02561319385934555 0.003953171828885388 -0.02561319385934555 -0.2383914843280381 0.02801714526491359 0.003953171828885388 0.02801714526491359 -0.14127816589035944" pbc="T T F" Ar 0.06504129 -0.29134056 0.22277084 0.21151283 0.20538952 -0.37692389 Ar 0.93584377 0.93362810 0.19581920 -0.21729272 -0.07010099 -0.40223613 Ar 0.89685009 0.42259636 0.92626233 -0.12052621 -0.14219914 0.33310381 Ar -0.14597521 0.95996341 0.74207130 0.12630609 0.00691061 0.44605621