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=128.30696097052865 stress="-737.6861354787553 1.5243587128338305 15.524260335593198 1.5243587128338305 -745.5867307015965 11.681484306842549 15.524260335593198 11.681484306842549 -757.0150830277383" pbc="F F F" Ti 0.01684590 0.01299468 -0.13835175 -17.05047868 -14.03036383 -15.55860307 Ti 1.48187718 1.45291772 -0.12220142 -5.09750238 9.56811644 -25.65000877 Ti 1.35089236 0.14937413 1.38645486 16.35838866 -31.13271315 7.26223423 Ti -0.05954907 1.43068330 1.52917767 -33.78380939 10.72249087 -7.91453968 Ti 2.87322818 -0.00903285 -0.03999068 5.42395306 -21.77256353 -16.80980455 Ti 4.60035101 1.35171479 -0.04957417 17.89280446 7.05679989 -26.52431410 Ti 4.49896774 0.14093619 1.44485985 18.67026233 -32.48183829 2.48700083 Ti 3.13082434 1.55085060 1.43896683 -13.37060041 -6.78408094 5.39669695 Ti -0.14047807 3.00041301 0.12312049 -15.44563166 -5.45823566 -21.78837090 Ti 1.57151201 4.42749447 0.05521430 -11.07346626 20.21033902 -27.17573275 Ti 1.60473562 2.92756425 1.52640357 -10.52727606 2.94271604 -6.00333374 Ti -0.04333058 4.42327745 1.43620618 -18.34878969 21.13041971 4.68635897 Ti 2.91115422 2.89460139 -0.13856790 9.60319680 -0.03963455 -26.17996218 Ti 4.46929036 4.37602710 0.07744391 15.28072884 11.06747248 -13.13392208 Ti 4.52994270 2.85122873 1.58215541 27.81395534 11.58811407 -3.46814367 Ti 2.90712865 4.49422032 1.39245395 10.23299791 26.54436036 12.05676902 Ti -0.05014013 -0.06316932 2.84611393 -17.19782817 -27.02734329 4.53668940 Ti 1.39109654 1.60906946 2.88358035 12.81191495 -10.10578877 13.07417288 Ti 1.59705118 -0.08451751 4.44100599 -5.33082459 -15.86899856 18.81093990 Ti -0.03349704 1.21913417 4.38848213 -16.56339671 3.94311125 23.56224245 Ti 3.02638820 -0.01743904 3.11293281 -8.34011754 -25.55240486 -23.01013546 Ti 4.64695597 1.36307265 3.01051572 27.65066009 5.86500966 -4.57734913 Ti 4.38880678 0.09110102 4.44681420 25.07952299 -25.74409255 27.62440282 Ti 3.11786929 1.51362086 4.38769075 -17.91179765 12.95004998 26.04892521 Ti -0.14851834 2.92443650 3.11041646 -29.74589063 4.36068716 -2.08462768 Ti 1.27707113 4.49367715 3.02633684 7.62091057 28.13266212 -7.10048156 Ti 1.45349183 3.09053555 4.41412661 6.31350782 -11.18034345 30.22161088 Ti 0.06551239 4.54997625 4.63060378 -16.62706869 14.17711426 16.49956172 Ti 3.00596876 3.12613374 2.98215999 0.99960686 -2.87567160 3.69124378 Ti 4.52198250 4.53618071 3.10189669 20.98237655 19.52327387 -9.58573717 Ti 4.61927298 2.88461090 4.39114848 19.81993959 4.91759508 20.21365754 Ti 3.12005782 4.59372672 4.51007876 -6.14024831 15.35374075 20.39255991