32 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=43962.41508235916 stress="-2.240556847307869 -0.09991603363031788 0.17851075627137533 -0.09991603363031788 -2.688670396270672 -0.5835986484034179 0.17851075627137533 -0.5835986484034179 -2.541243360506667" pbc="F F F" Ti 20.80521149 21.19992643 20.87857175 -2663.06676265 -3112.42731184 -1431.60724866 Ti 22.27970284 22.40982374 21.03392800 3812.35953487 2464.88864115 -2966.66321035 Ti 22.63118854 21.13931075 22.45566994 -442.97174171 -6741.21412104 -3785.30732316 Ti 20.74429006 22.56059079 22.39911939 -2047.63229080 -449.92214332 3013.84056623 Ti 24.09473234 21.00510365 20.89846766 -1264.16526708 -2138.63688526 -952.89344922 Ti 25.60776575 22.24820580 20.91592744 2906.97020620 961.60577613 -1919.29305995 Ti 25.71513897 21.20499524 22.84680476 2162.28786566 -2372.55165049 -979.97562743 Ti 24.25035921 22.61070862 22.41572465 -21123.44168433 -17294.62153156 -2545.95674053 Ti 20.86256773 23.84475084 21.02273186 -2167.66253582 3294.26067715 -4316.44301228 Ti 22.67042247 25.70165529 21.01375475 -2775.52208678 2681.20792696 -6202.00989101 Ti 22.40695704 24.23206482 22.29153254 16026.40760533 -19422.52032359 -2213.15625702 Ti 21.23205967 25.35297310 22.55474951 -18273.77977609 17487.27608823 4494.00224006 Ti 24.22987914 24.16398341 21.05363867 -4705.92869183 -4785.26774699 -4140.55910377 Ti 25.36714752 25.58617405 21.08808014 4926.06228047 5243.05745097 -752.56318791 Ti 25.46463620 23.70229940 22.49106808 22500.86644344 18865.82388873 723.36383890 Ti 23.81362845 25.57191229 22.46429664 3906.35476010 3593.42030691 4741.43101824 Ti 21.02392456 21.20204077 23.81149987 -2787.46235330 -2863.03954121 897.62097252 Ti 22.63997747 22.36832297 23.80078667 -5312.72357814 10275.36407473 1917.65090464 Ti 22.26058866 21.28765033 25.45148445 1390.46822758 -3813.58801442 2546.70369370 Ti 20.95132499 22.68658184 25.55381880 -4063.41729256 -1817.84760614 5145.34656094 Ti 23.97035836 21.21087230 23.98363285 4627.82319010 -12279.23587781 -4060.55815422 Ti 25.29004866 22.68878997 24.13448783 10554.94378597 -35893.54206317 -53583.14620517 Ti 25.35704070 20.76160062 25.50263691 2578.12063469 -2684.02873959 882.12383202 Ti 24.11154925 22.23405350 25.45560922 -12205.67896272 -6188.88780413 11705.94244020 Ti 21.29700223 23.86570916 24.20235490 -2959.32440372 3739.85924419 -5838.73156447 Ti 22.71519632 25.34890630 24.47913052 -7962.20652022 12220.41491063 -3999.82662443 Ti 22.78288021 23.81826376 25.42558406 -12.43358410 -5836.47324098 9027.16444007 Ti 20.79071300 25.60024443 25.51496467 -566.54752780 408.91152453 491.24957261 Ti 23.86963555 24.09807776 23.87611041 2769.21999130 -4837.20792708 -4836.74188632 Ti 25.40696800 25.26082825 24.16480841 8660.22198720 2018.00602702 -7195.46444004 Ti 25.20418628 23.55789683 25.38586189 6585.09185809 46261.91703309 55046.00335975 Ti 24.26150350 25.35994998 25.50537863 -2073.23331135 3014.99895818 11088.45354606