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=-0.6882761406990419 stress="-23.240379682117837 0.45726448469310177 -1.8766744850127974 0.45726448469310177 -22.260245687202893 0.4498332673739185 -1.8766744850127974 0.4498332673739185 -23.06172021142766" pbc="F F F" Al -0.14801295 -0.02432459 0.06329927 -9.51990448 -6.73210824 -9.19638443 Al 1.43745442 1.27846858 -0.00548572 6.37306921 8.36821929 -7.10043378 Al 1.34126820 -0.15859300 1.31668137 9.09135386 -9.57767571 8.46205657 Al -0.08013605 1.24396547 1.59073906 -5.94451859 7.94156466 7.83476164