64 Lattice="70.0 0.0 0.0 0.0 70.0 0.0 0.0 0.0 70.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=-30.15154842899051 stress="-0.00047947722074248675 -0.00024717816638512223 5.907576558476856e-05 -0.00024717816638512223 -0.0007516297989624486 -9.255795923884712e-06 5.907576558476856e-05 -9.255795923884712e-06 -0.000552907007640559" free_energy=-30.15154842899051 pbc="F F F" Ni 34.95090640 35.18546883 34.58901709 0.72364211 0.50739568 1.12209512 Ti 37.01564031 36.71667680 36.72661173 -2.78048183 12.10360563 -4.46026580 Ti 38.26124696 38.06296286 34.84600273 2.29177605 -3.08462748 -8.82696057 Ni 38.18818760 38.68394623 36.47382398 1.10570917 1.94264355 3.00578808 Ni 37.45381834 35.24170572 37.18717708 1.48825180 -14.81468083 1.05621980 Ti 38.71658904 35.85690137 38.73614164 1.11787322 3.87993260 1.78634007 Ni 35.02521663 37.00296154 37.58281451 -1.42499131 -0.13920465 1.24915914 Ti 36.64786233 39.08129035 38.30415239 -20.61204014 -19.72850295 18.71985402 Ni 40.43399638 34.56341300 35.12876493 -5.02513912 -10.99626262 -4.45724121 Ti 41.06129485 35.95452046 35.70493338 -0.77174796 10.65929392 1.75340712 Ti 42.82155485 37.45039368 34.83899848 0.18582985 0.88215465 0.20277696 Ni 43.97282094 39.24495895 35.91940571 1.25980553 1.19240058 -1.57560204 Ti 42.49705666 35.23279388 37.19785551 2.41886770 -0.22494440 3.67740996 Ni 43.12980565 36.21842060 39.61405603 11.63845637 -21.01713424 -12.21519055 Ti 40.23165455 37.85640122 37.37501571 -7.67299725 -7.49477436 -7.22962234 Ni 41.07230587 38.88196207 38.28286236 3.57226053 7.28320735 9.53937516 Ti 35.39136615 40.32338949 35.30769189 -1.06505292 -3.61857707 -2.28824652 Ni 36.28776017 41.57181618 36.58108167 8.17567538 -1.03841757 -8.31779002 Ti 36.96451788 43.10310640 34.72733402 0.35754300 -0.28950980 0.40005290 Ni 39.01677491 43.73595123 36.86819022 -11.70124213 40.85968940 -22.81949440 Ti 37.40698199 39.97968671 37.56698366 16.21716569 17.60993212 -18.69134422 Ti 38.25996911 41.45774368 38.52841774 1.67930356 2.10072696 5.69721112 Ti 35.43037883 42.30517807 37.74860610 -11.41727125 -7.67485286 -4.22416689 Ti 35.83062665 43.30310611 38.98591902 -1.08902973 15.00351107 9.50042971 Ni 39.75478798 40.67809425 34.57401960 -0.83768336 0.37769703 -0.58813809 Ni 41.18972545 40.87809763 36.23763196 -5.47950447 -9.40435809 7.35490844 Ti 42.20955613 42.05436465 35.46209557 -5.31956773 -2.91246456 -7.98667165 Ti 43.43270701 43.28756462 35.87555308 9.46583112 9.08776607 4.15530723 Ti 42.85535711 39.53756613 37.80765239 3.75976880 1.38733550 1.04025336 Ni 43.93260870 41.70718749 38.69452641 11.12887695 0.59544413 -7.01797225 Ni 39.41775983 42.58828479 37.53197082 9.55928760 -44.05308935 15.51890816 Ni 40.60397577 43.65192222 38.42434132 6.12909959 6.33829905 4.08148892 Ni 35.02369781 34.88154757 40.13654161 0.02655172 -0.73909487 -0.56909263 Ti 36.09081631 36.67749086 41.06599524 -11.43207547 -9.21128022 16.27629236 Ti 37.02719125 37.35923164 39.99915946 13.08665695 9.54113833 -13.23891878 Ni 38.57024044 38.88627495 41.17844097 -6.25018846 -6.22358487 2.17679488 Ni 37.54162101 34.68443179 41.85384755 0.05013000 0.41933695 -0.59354374 Ti 38.57422608 36.52111959 43.87143979 -8.23835702 -4.91792478 9.52597953 Ti 34.63264827 37.61634556 42.96044858 -2.87004314 0.11786786 -1.33178753 Ti 36.43490496 38.41778130 44.19757799 1.73971709 -0.08782674 3.28141066 Ni 40.17369928 34.54508350 39.31834738 3.01609872 -3.15988553 1.00679679 Ni 41.42789546 35.94015719 41.01696792 -9.04461059 -0.05033674 -3.03361154 Ni 42.47353837 37.47214569 40.26035151 -12.80305886 22.57794034 7.59020962 Ni 43.86575364 38.59558632 41.08523110 2.60335174 2.92264783 1.80883944 Ti 42.59040093 35.02094571 42.12715892 3.21670803 -2.92056587 2.59652876 Ni 43.97557477 35.56890820 43.61806605 1.52336634 0.92058546 1.77388487 Ti 39.59451639 37.12914542 42.53316196 5.64480797 3.28509278 -13.67829219 Ti 40.91915316 38.31330551 44.02388729 0.44327540 2.00800260 1.28697491 Ni 34.76739403 40.34900793 40.07391915 -0.32447286 -1.04249689 -0.23733322 Ni 36.59099007 41.36202501 40.79556655 -4.10931988 -16.63757080 4.62738570 Ti 37.14160428 42.64387892 40.30013020 12.79678646 14.10914136 2.49957095 Ni 39.34395048 43.92649024 41.07767253 -0.41235144 2.22502813 -2.85272648 Ti 37.44970714 39.83859636 42.56507203 -6.23977031 -4.29765022 -7.23461985 Ni 38.25117672 40.75916108 43.76829091 5.11873141 6.07694240 7.83556074 Ti 34.91907040 41.97038793 42.15404608 -1.54797698 -0.30335922 0.54728555 Ni 36.26501214 43.60492430 43.24688858 1.20553289 -0.05431801 -0.36967303 Ti 39.74829293 39.72645972 40.34274857 2.64928331 -1.36384688 -11.92528696 Ti 40.86062386 40.86434150 41.47436012 5.91309888 3.92950461 3.68303406 Ni 42.47610494 41.74141737 39.62583195 -11.27536098 -0.63435877 6.87189294 Ti 43.71536257 43.62828279 41.63198328 -0.90212986 -1.12103872 -0.47946408 Ni 42.54859118 39.71294649 42.82026207 1.22154655 -0.88620787 0.60251344 Ni 44.11043009 41.40596012 43.09606956 -0.93830250 0.89113459 -0.61703645 Ti 39.91083227 42.68649434 42.66147858 -5.98095832 -3.20672711 1.33492542 Ni 41.47474773 43.55284054 43.38092721 5.03505839 2.51407640 1.67322714