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=1867.1596833686056 pbc="T F F" Fm 0.28925214 0.04467137 -0.09615898 100 -2195.19357691 -4414.33672518 -2326.80412930 Fm 1.66789924 1.35099296 -0.12038456 100 2449.55371530 3272.65089208 -2037.21064625 Fm 1.61556308 -0.18347224 1.50404149 100 812.04856885 -1216.85957845 1305.95981961 Fm 0.26457972 1.43528000 1.31142898 100 -1066.40870724 2358.54541154 3058.05495594