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=9067.870926226235 stress="-33956.66900941823 4720.140673395227 1967.9227019800746 4720.140673395227 -39812.66434100415 -4470.71858135521 1967.9227019800746 -4470.71858135521 -37101.24250163694" pbc="F F F" K -0.01064774 -0.27618125 0.09244008 -6561.65742900 -15236.71439603 -13444.46019422 K 1.46789314 1.52511939 -0.12060459 7395.57127228 9492.36247535 -14109.10020116 K 1.67180232 0.08444970 1.35688163 13619.49061409 -11072.80319218 11301.54681560 K -0.01811323 1.31191502 1.31107237 -14453.40445737 16817.15511286 16252.01357978