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=1.91642448237 stress="-7.435766155218505 -0.06063364485090447 1.1141254823344342 -0.06063364485090447 -6.041433738685286 -0.10015217934751995 1.1141254823344342 -0.10015217934751995 -6.517090339898056" pbc="F F F" Ti -0.27948471 0.19273990 -0.19277068 -12.56043471 -12.47688092 -7.16612992 Ti 1.26172667 1.55332204 -0.11563527 15.74958172 13.70070869 -14.06330034 Ti 1.73110688 -0.00183978 1.51283276 13.12145247 -13.18537753 3.30887097 Ti 0.20071341 1.32858036 1.64720807 -16.31059948 11.96154976 17.92055929