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=17.246624523527167 stress="-13.017039641452559 -0.2680591001548671 0.3860600700412258 -0.2680591001548671 -13.129945846704254 -1.0133283453251245 0.3860600700412258 -1.0133283453251245 -15.40056908011331" pbc="F F F" K -0.12320595 -0.04105180 0.20259391 -5.30095994 -4.43648316 -3.71418515 K 1.56504129 1.20865944 -0.13449789 4.61399556 2.92630232 -5.51340337 K 1.28802619 0.22277084 1.68584377 4.54246559 -4.65016886 5.51484978 K 0.18362810 1.69581920 1.64685009 -3.85550121 6.16034969 3.71273873