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=16.2481078765 stress="-11.673292611050904 1.5496604342157378 -0.07211461580517156 1.5496604342157378 -8.75571263931199 -2.693407197937223 -0.07211461580517156 -2.693407197937223 -12.933395751547142" pbc="F F F" Ti 0.19178619 0.17895518 0.29140871 -12.70761456 -16.03647743 -28.78157236 Ti 1.61455359 1.53253581 0.14904689 10.55854166 7.71950184 -8.24798442 Ti 1.28091226 0.10609294 1.46603997 18.27197335 -8.97409357 17.81462326 Ti -0.19401975 1.32157598 1.51361598 -16.12290044 17.29106916 19.21493352