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=-15.2946053474 stress="-4.386622601108865 0.9928694456017985 0.8486959679996737 0.9928694456017985 -5.371800804645118 0.24690161708578925 0.8486959679996737 0.24690161708578925 -4.655324327212704" pbc="F F F" W -0.23827333 0.05332204 -0.11563527 -4.87031372 -6.71832786 -6.12882681 W 1.73110688 1.49816022 0.01283276 7.62590582 9.13670098 -10.29767175 W 1.70071341 -0.17141964 1.64720807 8.18567249 -14.51093364 5.96687165 W 0.08942344 1.45706424 1.77559981 -10.94126459 12.09256052 10.45962692