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=197318.84344347913 pbc="T F T" Ra 0.18640103 0.25039402 0.13058208 88 -75570.08135777 -200586.61184936 50178.68324943 Ra 1.68906095 1.70550627 -0.00638248 88 -143202.96040756 187747.58881289 -27760.34455365 Ra 1.58642485 0.07497803 1.76716734 88 76755.38505402 -157585.64024007 -159845.08688093 Ra 0.01139984 1.75806182 1.42832729 88 142017.65671131 170424.66327654 137426.74818515