32 Lattice="6.0 0.0 0.0 0.0 6.0 0.0 0.0 0.0 6.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=43962.4150823591 stress="-165998.37570334558 -7402.579099604467 13225.504910633652 -7402.579099604467 -199198.21231890153 -43237.65666291264 13225.504910633652 -43237.65666291264 -188275.63809321803" pbc="F F F" Ti -0.19478851 0.19992643 -0.12142825 -2663.06676265 -3112.42731184 -1431.60724866 Ti 1.27970284 1.40982374 0.03392800 3812.35953487 2464.88864115 -2966.66321035 Ti 1.63118854 0.13931075 1.45566994 -442.97174171 -6741.21412104 -3785.30732316 Ti -0.25570994 1.56059079 1.39911939 -2047.63229080 -449.92214332 3013.84056623 Ti 3.09473234 0.00510365 -0.10153234 -1264.16526708 -2138.63688526 -952.89344922 Ti 4.60776575 1.24820580 -0.08407256 2906.97020620 961.60577613 -1919.29305995 Ti 4.71513897 0.20499524 1.84680476 2162.28786566 -2372.55165049 -979.97562743 Ti 3.25035921 1.61070862 1.41572465 -21123.44168433 -17294.62153156 -2545.95674053 Ti -0.13743227 2.84475084 0.02273186 -2167.66253582 3294.26067715 -4316.44301228 Ti 1.67042247 4.70165529 0.01375475 -2775.52208678 2681.20792696 -6202.00989101 Ti 1.40695704 3.23206482 1.29153254 16026.40760533 -19422.52032359 -2213.15625702 Ti 0.23205967 4.35297310 1.55474951 -18273.77977609 17487.27608823 4494.00224006 Ti 3.22987914 3.16398341 0.05363867 -4705.92869183 -4785.26774699 -4140.55910377 Ti 4.36714752 4.58617405 0.08808014 4926.06228047 5243.05745097 -752.56318791 Ti 4.46463620 2.70229940 1.49106808 22500.86644344 18865.82388873 723.36383890 Ti 2.81362845 4.57191229 1.46429664 3906.35476010 3593.42030691 4741.43101824 Ti 0.02392456 0.20204077 2.81149987 -2787.46235330 -2863.03954121 897.62097252 Ti 1.63997747 1.36832297 2.80078667 -5312.72357814 10275.36407473 1917.65090464 Ti 1.26058866 0.28765033 4.45148445 1390.46822758 -3813.58801442 2546.70369370 Ti -0.04867501 1.68658184 4.55381880 -4063.41729256 -1817.84760614 5145.34656094 Ti 2.97035836 0.21087230 2.98363285 4627.82319010 -12279.23587781 -4060.55815422 Ti 4.29004866 1.68878997 3.13448783 10554.94378597 -35893.54206317 -53583.14620517 Ti 4.35704070 -0.23839938 4.50263691 2578.12063469 -2684.02873959 882.12383202 Ti 3.11154925 1.23405350 4.45560922 -12205.67896272 -6188.88780413 11705.94244020 Ti 0.29700223 2.86570916 3.20235490 -2959.32440372 3739.85924419 -5838.73156447 Ti 1.71519632 4.34890630 3.47913052 -7962.20652022 12220.41491063 -3999.82662443 Ti 1.78288021 2.81826376 4.42558406 -12.43358410 -5836.47324098 9027.16444007 Ti -0.20928700 4.60024443 4.51496467 -566.54752780 408.91152453 491.24957261 Ti 2.86963555 3.09807776 2.87611041 2769.21999130 -4837.20792708 -4836.74188632 Ti 4.40696800 4.26082825 3.16480841 8660.22198720 2018.00602702 -7195.46444004 Ti 4.20418628 2.55789683 4.38586189 6585.09185809 46261.91703309 55046.00335975 Ti 3.26150350 4.35994998 4.50537863 -2073.23331135 3014.99895818 11088.45354606