16 Lattice="42.0 0.0 0.0 0.0 42.0 0.0 0.0 0.0 42.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=-39.67484215414727 stress="-0.000241329477359907 -0.0001336666985043696 4.463972734905201e-05 -0.0001336666985043696 -0.0002172760238024941 5.161740275721122e-05 4.463972734905201e-05 5.161740275721122e-05 -2.525480923541966e-05" free_energy=-39.67484215414727 pbc="F F F" Ni 21.04411894 21.27093457 21.04804746 -1.22706554 -2.21037235 -1.61470588 Ni 22.23155877 22.42113482 22.29375489 4.70259563 0.88396146 1.70514663 Ni 23.88477302 21.06194135 20.87455773 -2.14344702 -1.46815353 2.46703574 Ti 25.40855725 22.25979631 22.29476005 4.95241217 3.65583595 0.69415287 Ti 21.05114214 23.75932107 20.97502819 -1.70552887 1.88702041 -1.04752430 Ni 22.41062519 25.37728820 22.78055862 0.03262783 1.42097309 -0.75291977 Ti 23.72950407 23.79998375 21.23232047 0.62823845 1.45783999 -0.93880151 Ti 25.64379487 25.60416983 22.73672153 0.96617191 0.16658226 -1.15646818 Ni 21.24741067 21.10895215 23.50836990 -1.21007763 -1.67280488 1.90966144 Ti 22.75912702 22.24222034 25.35844045 -1.18938547 0.37159040 0.23904217 Ti 24.19291102 20.72817044 23.84268038 -2.66662565 -2.23790895 -2.68864952 Ti 25.59692277 22.34323236 25.67171396 0.30863172 0.62302410 -0.40710280 Ni 21.23452314 23.81702931 23.73217489 -0.48268158 -0.74712879 1.50357934 Ni 22.52004829 25.52826565 25.33572585 -0.66123996 0.45426827 -0.02025825 Ti 24.06799256 24.26554664 24.15599623 -1.68704777 -3.79026960 -1.69802036 Ni 25.42244881 25.43792997 25.28940289 1.38242178 1.20554218 1.80583238