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=-2.5321141191897443 stress="-11.70084315739396 0.4854208117191723 -0.41283801508288853 0.4854208117191723 -9.734043540188786 0.8465430275160442 -0.41283801508288853 0.8465430275160442 -9.798090202599026" pbc="F F F" Al -0.14459490 0.11115480 0.11044915 -4.04796064 -3.24940818 -3.71034432 Al 1.70960170 1.31143450 -0.16166483 3.70524396 2.51731581 -2.71801845 Al 1.28829595 -0.16490224 1.64041416 3.21624891 -3.37475344 3.93952491 Al -0.22187219 1.51878885 1.32834452 -2.87353222 4.10684582 2.48883786