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=42.00094996777788 stress="-2.939646283812517 0.2513455176532115 -0.14247242663426837 0.2513455176532115 -3.164913300652548 -0.013206336115455632 -0.14247242663426837 -0.013206336115455632 -3.0652803416092413" free_energy=42.00094996777788 pbc="T T T" Al 2.85540510 0.11115480 0.11044915 7.98243213 -8.83497456 -2.17430101 Al 1.70960170 1.31143450 2.83833517 -13.00748429 4.08515868 1.68883224 Al 1.28829595 2.71189181 1.64041416 -2.24744488 4.36266154 -3.19418462 Al 2.77812781 1.47773705 1.32834452 7.27249704 0.38715434 3.67965339