16 Lattice="6.0 0.0 0.0 0.0 6.0 0.0 0.0 0.0 6.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=-40.4970823066 stress="-0.033221916515004 -0.07404569755441974 0.07965381314726458 -0.07404569755441974 0.03691386522165746 0.03484004154878336 0.07965381314726458 0.03484004154878336 -0.01760561524054379" pbc="F F F" Ni -0.05060995 -0.09667849 -0.04160504 0.35223803 0.32385579 0.30803758 Ti 1.33096497 1.38201197 1.43300593 7.41988098 7.63189405 -4.59001691 Ni 2.84970700 -0.00323046 0.21639213 0.39009513 -0.10270968 0.25117048 Ni 4.65055997 1.68047504 1.79391194 0.55941481 -0.56240115 -0.89232391 Ti -0.27385471 3.09431082 -0.22238644 0.60516378 -0.38502136 0.76386147 Ti 1.68220204 4.39362841 1.93563580 -0.24283584 0.98901360 -2.12142828 Ti 3.15685371 2.64964009 -0.13983261 -0.01048057 0.59056243 0.33577495 Ni 4.11452147 4.60590892 1.58753420 0.94089587 -0.20452444 -0.22774729 Ti -0.01264569 -0.07700850 2.90698366 -3.97804805 -2.88157929 5.52900494 Ni 1.66380800 1.18890988 4.60113602 2.84029989 4.60703952 -5.88213421 Ni 3.09995250 0.26120756 3.01193751 -6.00249693 -3.75222451 0.34231117 Ti 4.45447067 1.18187883 4.39937931 1.40237284 1.59846705 1.70488143 Ni 0.07236142 3.20379337 3.23854596 -4.77717381 -7.45390529 0.41311999 Ti 1.26922180 4.28229695 4.52031036 2.77342133 1.27959357 3.31459992 Ni 3.18745344 2.91932900 2.87970777 -1.25269456 -1.20916996 1.52933161 Ti 4.62549624 4.58876473 4.46424808 -1.02005288 -0.46889033 -0.77844294