108 Lattice="22.99823494400725 0.0 0.0 0.0 22.99823494400725 0.0 0.0 0.0 22.99823494400725" Properties=species:S:1:pos:R:3:Z:I:1:forces:R:3 energy=-44.33566857622314 pbc="F F F" K 0.06637702 -0.00891838 -0.03534035 19 -0.03333130 -0.02366337 -0.02639887 K 3.75787753 3.88182534 0.01526342 19 0.07586930 0.05473064 -0.05372537 K 3.76402098 -0.03137300 3.80283053 19 0.06506131 -0.05640303 0.06178477 K 0.00810423 3.86457010 3.88301074 19 -0.05985540 0.04029819 0.05304613 K 7.59320032 0.00845410 0.00306267 19 0.01965976 -0.02845148 -0.03009534 K 11.51228715 3.85967629 0.01584553 19 -0.02449232 0.03454085 -0.04390729 K 11.55650053 -0.05060261 3.89897719 19 -0.03396886 -0.03380297 0.04759497 K 7.65128283 3.79206929 3.87159519 19 0.02037927 0.07773593 0.06338262 K 15.39935319 -0.02760308 0.05153534 19 -0.04938297 -0.04509051 -0.05156889 K 19.16573656 3.85933629 0.07173929 19 0.05409542 0.04160018 -0.05033442 K 19.24045581 -0.00938201 3.78053845 19 0.04917287 -0.04467495 0.05181429 K 15.33809295 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