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:forces:R:3 energy=2.119806887676268 stress="-58.613509948319994 5.940127778645152 -3.503116764884439 5.940127778645152 -61.00903386919593 1.7403034167204865 -3.503116764884439 1.7403034167204865 -59.39670095727756" pbc="F F F" W -0.12320595 -0.04105180 0.20259391 -22.85134512 -16.19616757 -14.59897023 W 1.56504129 1.20865944 -0.13449789 17.11471416 13.52178646 -20.95298124 W 1.28802619 0.22277084 1.68584377 25.31645753 -26.79182249 25.32454593 W 0.18362810 1.69581920 1.64685009 -19.57982657 29.46620360 10.22740553