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=-40.002418297897115 stress="3.112185152323451 0.10843586335826633 -0.010520419211572192 0.10843586335826633 1.9610080664170266 -0.14336389921798193 -0.010520419211572192 -0.14336389921798193 2.9499746500107538" pbc="T F T" N 0.00542667 0.25850264 0.01398267 11.26119544 20.74827416 7.98965428 N 1.26151150 1.28755226 0.10484537 -13.18518203 -23.68584429 11.36540110 N 1.40756719 0.06302862 1.29531674 -4.99932066 20.53352343 -12.05994650 N 0.02123813 1.65425188 1.40136456 6.92330726 -17.59595329 -7.29510888