16 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=294.50332412791806 stress="-0.027866511229830766 -0.011519076001687428 -0.0026270152251136394 -0.011519076001687428 -0.02522585179329446 -0.0053670873729551195 -0.0026270152251136394 -0.0053670873729551195 -0.020448996278821588" pbc="F F F" Ti 21.01339628 20.86429544 20.85682445 -25.32560727 -24.51230576 -21.85125010 Ti 22.45561107 22.48989226 22.31862541 -203.91842795 101.10672348 219.93701848 Ti 23.97411574 21.25556648 21.09661421 88.00363916 -249.65088606 -235.86328532 Ti 25.67998663 22.27361386 22.49759398 227.91501818 177.37393809 -42.30007687 Ti 21.17008104 24.49199105 21.02797804 -156.84041114 -79.47804745 -119.39610077 Ti 22.75105327 25.66166009 22.32448922 112.16650747 130.74102664 110.26363521 Ti 23.88885939 23.79597625 20.80060286 79.18924649 91.89604583 -94.39589168 Ti 25.63926851 25.42558483 22.71728449 111.57777515 95.60431776 -110.86065066 Ti 20.87411710 21.01647840 24.26693269 -234.19542988 -179.56638636 -134.41574619 Ti 22.51422862 22.26308427 25.23518192 239.51673087 136.83624379 183.67011628 Ti 24.27257803 20.86572827 23.72706782 -110.34925308 -159.80944381 130.88973783 Ti 25.67683275 22.53077888 25.59341127 30.34455316 -25.33595202 32.46830019 Ti 21.12680775 24.17886136 24.24939942 -217.08532750 -165.77830180 -148.21322552 Ti 22.45764446 25.74568306 25.24548264 149.37786762 233.86256266 154.92280062 Ti 24.25312691 24.16711320 24.17310009 -128.73328088 -129.01117874 25.87180911 Ti 25.50634206 25.68219864 25.74554139 38.35639959 45.72164375 49.27280939