64 Lattice="10.0 0.0 0.0 0.0 10.0 0.0 0.0 0.0 10.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=-31.5852155911 stress="-0.2554409135601834 -0.06581170263892608 -0.06130741891979916 -0.06581170263892608 -0.23009864346560907 -0.04305488939523553 -0.06130741891979916 -0.04305488939523553 -0.2873345411632753" pbc="F F F" Ti -0.04478780 0.07892690 0.04752897 -2.26248709 -0.69977756 -0.13701228 Ti 1.90814007 1.08864014 0.91755732 2.36865364 0.71538045 -0.44222897 Ti 3.10011042 2.95306259 -0.17862732 1.11585746 2.44151445 0.34683709 Ni 4.24837319 4.12149671 1.77346405 -4.16214461 1.26785974 -1.26395477 Ti 2.01327372 0.35886605 3.20555509 -10.20293824 -6.72585649 -0.19136161 Ti 3.69237275 1.11531311 3.61722762 11.19956977 6.71040178 -2.76349863 Ti 0.33737120 2.60231780 2.87283489 -7.99662353 -9.52918007 -6.25632524 Ni 1.27776773 3.66501309 3.61834179 5.67649734 8.44384830 4.56610129 Ti 4.76917747 -0.34695586 0.90206896 -21.05894190 -11.06324360 -7.66022609 Ti 6.03610500 0.37773309 1.41749177 15.68088732 13.78439438 5.25278819 Ti 7.42410853 2.76298248 0.31430573 -7.68691533 -1.47844732 -1.39617244 Ni 9.00949199 3.46956405 0.95428420 6.93471556 2.21796601 2.31138852 Ni 7.47676557 -0.11238558 2.64954043 -1.99698334 -7.31696503 -3.60882240 Ni 8.35674454 0.94593566 3.75585635 5.54640574 -0.48400345 -6.16192005 Ni 5.90511200 3.44410673 2.56067748 4.45784289 -8.72192655 -11.24671965 Ti 6.08193849 4.12229896 3.99995851 10.52980742 -8.67910648 8.29071407 Ti -0.31635425 4.60403540 -0.32252418 1.01772474 -0.56414985 0.42379531 Ti 1.47020913 6.04936967 1.53486626 -1.64104552 0.10588340 -16.34570560 Ti 2.59921501 7.26825051 -0.40221330 0.53587616 -0.81135993 -1.07479754 Ni 3.90337466 8.89263256 0.75587034 -4.56262886 6.54664179 -2.95944571 Ti 2.16954086 5.40069931 2.91444697 0.42043113 -11.94188960 5.85575711 Ni 3.75541863 5.85925478 3.49485621 6.90271591 2.75258225 -3.96175621 Ni 0.23360583 7.19066888 2.04481340 -6.44878737 5.89759817 2.61291411 Ni 1.00012357 8.34921688 3.97265454 -1.20989886 1.46329473 -0.52249725 Ti 5.12776604 5.58672763 -0.39923736 -0.98830298 -0.68239078 0.39850742 Ni 6.53227015 6.63456266 1.27153045 -16.91351258 -24.26210692 46.95834578 Ni 7.14286596 7.10421160 0.17116535 23.97749468 19.04235265 -47.27260775 Ti 8.97526507 8.30496232 1.09777301 0.00021137 -0.15181344 1.55542436 Ni 7.94758804 4.77778404 2.66571246 -1.46915624 -3.53122172 -4.23326672 Ti 8.87245546 6.10593507 3.86714694 0.73269140 2.12475549 2.09817452 Ni 5.06189841 7.71658511 1.58916577 -2.65584796 -1.42113405 2.72712259 Ni 5.47679730 8.03835985 3.69213292 0.23989577 -1.29828998 2.50552209 Ti 0.06773166 0.06351592 5.29485414 -1.33339279 0.42396842 -0.22748482 Ti 2.15200608 1.21959328 6.00512234 1.94225367 -17.04859101 10.92190190 Ti 2.28642274 2.62133246 5.19518869 1.93496093 18.88652129 -7.32132713 Ni 4.42458493 4.15985097 5.99655745 -1.48894697 -2.68464511 4.30364283 Ti 2.53396505 0.20357008 8.41485083 -5.88750501 -12.13090213 1.43837325 Ni 3.21736669 1.68113249 8.32989755 2.06244630 10.83791676 0.97538595 Ni 0.00386062 2.37318096 7.31670287 0.42365655 -0.12206615 -0.46251690 Ti 1.38423149 4.12584160 8.79755541 -1.47689584 -1.19145884 -0.60011644 Ni 4.96350480 -0.09744421 5.16917498 -0.85196100 -0.26733908 0.87551664 Ni 5.91868085 1.21756783 6.74135582 -3.05226636 2.08636927 -9.61063855 Ti 8.29578266 1.69831787 5.13412559 -2.54272088 3.12934000 10.88682139 Ni 8.78139491 3.18364244 6.33900055 0.42541535 3.93172513 3.75042772 Ni 7.09195756 0.05649307 7.21074874 10.36226204 -8.60677149 3.79259885 Ni 8.98371385 1.26412456 8.82345602 -0.98978330 0.29032322 -1.28067271 Ni 5.01270000 2.36415287 7.70457948 -3.96374634 9.55695855 4.79302606 Ti 6.74696934 3.83996886 9.12377303 -0.63622074 -1.57684007 0.48914227 Ti -0.15852792 4.92469126 5.77314570 0.09627558 -1.90612863 -1.03697901 Ti 1.74169263 6.47432183 6.32191966 -4.21112545 3.20235590 4.07807719 Ti 2.32467618 6.71024314 4.52316990 1.85242825 6.14894139 -0.81208626 Ni 3.94565933 8.93992797 6.51698118 -2.34316827 0.74680162 -2.00322232 Ni 2.67296034 5.35933324 7.41217446 3.06819326 -6.32498240 -6.18109890 Ni 3.19477355 5.76321847 9.06264295 4.17099162 2.91224191 10.23963873 Ni 0.19022902 7.50598192 7.98511802 -14.18433751 -4.93544648 -2.29941706 Ti 1.66251581 8.02751235 8.25039859 14.74766912 5.26104104 3.95291724 Ni 5.20031852 5.21430809 4.52525826 -4.18460738 12.90337877 0.71661116 Ti 5.84310066 6.53577501 5.89411650 -0.11914979 -1.39394093 -0.33011532 Ni 7.75856311 7.52956525 5.38328410 -6.74107432 -6.46846314 -2.39607372 Ti 8.74854021 8.73953468 5.97018970 6.69703113 7.59130524 4.06560435 Ni 7.66486477 5.16939807 7.64770342 -9.77387338 -8.09371390 -10.90993330 Ti 8.70139570 6.06689414 8.37775954 9.56197263 10.36478393 6.79967465 Ti 5.38703745 7.77527694 7.65124986 -11.16653565 -7.44959565 -2.44742902 Ni 6.50306836 8.56443900 8.42670380 11.52069066 7.77530179 7.43467771