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=128.30696097052845 stress="-0.00995689093346768 2.0574974528052138e-05 0.00020953812136369662 2.0574974528052138e-05 -0.010063528921034397 0.00015767039610789066 0.00020953812136369662 0.00015767039610789066 -0.010217782677731036" free_energy=128.30696097052845 pbc="F F F" Ti 21.01684590 21.01299468 20.86164825 -17.05047868 -14.03036383 -15.55860307 Ti 22.48187718 22.45291772 20.87779858 -5.09750238 9.56811644 -25.65000877 Ti 22.35089236 21.14937413 22.38645486 16.35838866 -31.13271315 7.26223423 Ti 20.94045093 22.43068330 22.52917767 -33.78380939 10.72249087 -7.91453968 Ti 23.87322818 20.99096715 20.96000932 5.42395306 -21.77256353 -16.80980455 Ti 25.60035101 22.35171479 20.95042583 17.89280446 7.05679989 -26.52431410 Ti 25.49896774 21.14093619 22.44485985 18.67026233 -32.48183829 2.48700083 Ti 24.13082434 22.55085060 22.43896683 -13.37060041 -6.78408094 5.39669695 Ti 20.85952193 24.00041301 21.12312049 -15.44563166 -5.45823566 -21.78837090 Ti 22.57151201 25.42749447 21.05521430 -11.07346626 20.21033902 -27.17573275 Ti 22.60473562 23.92756425 22.52640357 -10.52727606 2.94271604 -6.00333374 Ti 20.95666942 25.42327745 22.43620618 -18.34878969 21.13041971 4.68635897 Ti 23.91115422 23.89460139 20.86143210 9.60319680 -0.03963455 -26.17996218 Ti 25.46929036 25.37602710 21.07744391 15.28072884 11.06747248 -13.13392208 Ti 25.52994270 23.85122873 22.58215541 27.81395534 11.58811407 -3.46814367 Ti 23.90712865 25.49422032 22.39245395 10.23299791 26.54436036 12.05676902 Ti 20.94985987 20.93683068 23.84611393 -17.19782817 -27.02734329 4.53668940 Ti 22.39109654 22.60906946 23.88358035 12.81191495 -10.10578877 13.07417288 Ti 22.59705118 20.91548249 25.44100599 -5.33082459 -15.86899856 18.81093990 Ti 20.96650296 22.21913417 25.38848213 -16.56339671 3.94311125 23.56224245 Ti 24.02638820 20.98256096 24.11293281 -8.34011754 -25.55240486 -23.01013546 Ti 25.64695597 22.36307265 24.01051572 27.65066009 5.86500966 -4.57734913 Ti 25.38880678 21.09110102 25.44681420 25.07952299 -25.74409255 27.62440282 Ti 24.11786929 22.51362086 25.38769075 -17.91179765 12.95004998 26.04892521 Ti 20.85148166 23.92443650 24.11041646 -29.74589063 4.36068716 -2.08462768 Ti 22.27707113 25.49367715 24.02633684 7.62091057 28.13266212 -7.10048156 Ti 22.45349183 24.09053555 25.41412661 6.31350782 -11.18034345 30.22161088 Ti 21.06551239 25.54997625 25.63060378 -16.62706869 14.17711426 16.49956172 Ti 24.00596876 24.12613374 23.98215999 0.99960686 -2.87567160 3.69124378 Ti 25.52198250 25.53618071 24.10189669 20.98237655 19.52327387 -9.58573717 Ti 25.61927298 23.88461090 25.39114848 19.81993959 4.91759508 20.21365754 Ti 24.12005782 25.59372672 25.51007876 -6.14024831 15.35374075 20.39255991