32 Lattice="53.513952764327406 0.0 0.0 0.0 53.513952764327406 0.0 0.0 0.0 53.513952764327406" Properties=species:S:1:pos:R:3:forces:R:3 energy=-95.15037739480215 stress="-3.202559389275373e-05 -4.1051950252994866e-05 -3.6576459874630526e-06 -4.1051950252994866e-05 -6.231671968429257e-05 -1.1995726831062804e-05 -3.6576459874630526e-06 -1.1995726831062804e-05 -8.542092061267498e-05" free_energy=-95.15037739480215 pbc="F F F" Ti 26.87007744 26.80523914 26.53520551 0.64367529 0.59583452 0.38263410 Ni 28.73903801 28.72321685 26.95619491 -0.94937151 0.26243829 -1.82875650 Ni 28.80570322 26.94514370 28.40286383 -1.17753163 -1.53826868 0.99711886 Ni 26.91433602 28.46838522 28.70413833 -0.02092793 0.41014868 -0.29884300 Ti 30.68526466 26.97347933 26.72920340 -0.16780560 -1.15977250 -1.16090903 Ni 32.71681219 28.58731643 27.00233990 -0.14842727 0.03511284 -0.85828029 Ni 32.69693948 26.84879557 28.60584026 -0.70556040 0.23483570 0.70532197 Ti 30.36826354 28.65737602 28.62533766 2.58206150 -1.60737854 1.49754354 Ti 26.91400218 30.72157835 27.00005811 -0.56225997 -2.33418717 -0.72214947 Ni 28.64204697 32.41962665 26.78906877 0.96825955 -0.04757697 0.82251087 Ni 28.79304687 30.36936241 28.52593409 -1.25896271 2.14143750 1.28143051 Ni 26.57987513 32.40291931 28.56813698 0.15057398 0.81810872 0.73343547 Ni 30.81353165 30.43327241 26.97371760 -2.50564362 0.55830924 -2.00521758 Ti 32.34860973 32.34253363 26.99414899 0.26839158 0.14961598 -0.18955694 Ni 32.28516740 30.20544764 28.48248601 1.85437051 1.14453414 3.10440805 Ni 30.36285827 32.43393720 28.52438126 -0.24879636 -0.48770935 0.84274979 Ni 26.58652873 26.51481489 30.67851704 0.39123691 0.53852322 -0.30181697 Ti 28.44282977 28.28450927 30.61212435 0.49986765 1.68818871 -1.18927582 Ti 28.87018390 26.83669879 32.59502127 -0.10993109 -1.14009453 1.54476414 Ti 26.85725282 28.81676318 32.66713718 -2.47835515 -0.48504918 0.38260530 Ni 30.40691606 26.53399292 30.63986233 1.03626787 0.83144451 -0.88491074 Ti 32.37192680 28.67867846 30.72032867 0.73205919 -0.55046464 -1.85056667 Ni 32.32773059 26.86002428 32.27936718 -0.82449982 -0.80426153 0.40352311 Ni 30.54021346 28.54053758 32.38139724 0.65699577 0.74978363 -0.16530422 Ni 26.79645247 30.80921802 30.78277554 0.16677697 -1.67680812 -1.27086890 Ti 28.31791381 32.59842704 30.37788490 2.39331748 -0.23064574 -1.69252216 Ti 28.74418566 30.40974150 32.60056578 1.89948608 -0.42738396 -0.16493133 Ti 26.98958999 32.49359309 32.64471760 -0.60725879 0.07980484 1.22677678 Ti 30.56258492 30.48209902 30.38100428 -2.28983569 0.52645230 0.55629341 Ti 32.26484161 32.29278288 30.68159335 1.43321833 0.95790680 -2.77097592 Ti 32.52836710 30.53945091 32.59555717 -0.45592268 -0.63919028 1.55036198 Ti 30.44607342 32.40645635 32.42238513 -1.16546844 1.40631155 1.32340766