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=0.38197214099318977 stress="-69.26709391169668 18.046569833346105 -6.0551949895131685 18.046569833346105 -77.4393915459082 4.07709475962713 -6.0551949895131685 4.07709475962713 -60.91289988720088" pbc="F F F" W -0.12320595 -0.04105180 0.20259391 -24.00943107 -15.84349201 -15.26091534 W 1.56504129 1.20865944 -0.13449789 16.83282106 14.28884362 -21.21375288 W 1.28802619 0.22277084 1.68584377 34.99381454 -38.61532361 27.77765077 W 0.18362810 1.69581920 1.64685009 -27.81720453 40.16997200 8.69701745