4 Lattice="3.5 0.0 0.0 0.0 3.5 0.0 0.0 0.0 3.5" Properties=species:S:1:pos:R:3:Z:I:1:forces:R:3 energy=582.7656947327854 pbc="T T T" W -0.00925081 -0.00152029 0.00395620 74 -515.14190146 -499.87646343 -511.67456327 W 0.87109090 0.86115429 -0.00034286 74 499.11712770 507.81220851 -501.30859274 W 0.86507926 -0.00991206 0.86354259 74 512.11596840 -514.42763154 505.92282080 W -0.00500850 0.85899784 0.88067119 74 -496.09119464 506.49188646 507.06033520