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=19854.76521421126 pbc="F T F" Sg 0.00397394 -0.20411424 0.29493095 106 -18134.69861001 32409.15983302 -40264.49029186 Sg 1.47491318 1.45486306 0.26924972 106 12716.85649411 -27106.23116615 -31019.26385691 Sg 1.41706779 -0.29314385 1.33123098 106 40973.07624654 48578.88537081 28301.77507336 Sg 0.16713916 1.67900605 1.44117681 106 -35555.23413063 -53881.81403768 42981.97907541