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=-7.33680915145 stress="-4.504492897751034 1.6337081395656834 1.1585554079969371 1.6337081395656834 -4.519951230537187 1.0556807715280916 1.1585554079969371 1.0556807715280916 -3.9741536944698224" pbc="F F F" N -0.23932283 0.17871475 0.19104769 -3.59565662 -2.55740294 -3.50431821 Al 1.46850990 1.45283623 -0.21646835 6.93059769 4.25813301 -9.64965298 Al 1.20072959 0.01229390 1.34628414 6.45167656 -10.47961681 7.60765391 Ti -0.20938248 1.74339277 1.21156333 -9.78661764 8.77888674 5.54631728