32 Lattice="57.55819320678711 0.0 0.0 0.0 57.55819320678711 0.0 0.0 0.0 57.55819320678711" Properties=species:S:1:pos:R:3:forces:R:3 energy=-85.8561699939728 stress="-5.44080328159451e-06 -4.235088091402829e-06 1.1624832360172675e-05 -4.235088091402829e-06 -6.471921905844307e-06 2.4831968233617414e-05 1.1624832360172675e-05 2.4831968233617414e-05 1.3297854839061025e-05" free_energy=-85.8561699939728 pbc="F F F" Ti 28.63102030 28.70450627 28.54815010 0.66099512 0.53225173 0.90796509 Ti 30.78356363 30.62812486 28.90816979 -1.05418880 0.91832802 -1.07380986 Ti 30.88465086 28.73216865 30.97167205 -1.44035234 -0.98429521 -0.58553347 Ti 28.62431102 30.82511357 30.86206064 0.72433527 0.28036257 0.66738165 Ti 32.82517335 28.67381440 28.59353012 -0.24197062 -0.05108775 0.12431113 Ti 34.70232544 31.00458110 28.62153193 0.14655470 -0.16633212 0.09823468 Ti 35.10779784 28.79885067 30.57578077 -0.67528196 -0.01642861 0.18262362 Ti 32.63600662 30.60143371 30.64888325 1.69265659 2.13707856 1.23780242 Ti 28.75404462 32.86133105 28.96731795 -0.33614164 -0.77346900 -1.39102387 Ti 31.07967298 34.71783362 28.79662281 -0.43345413 1.91713879 -0.81076741 Ti 30.64942433 33.04223115 30.74610337 1.87216066 -2.56479791 2.17263270 Ti 28.97554541 34.96874731 30.64756428 -0.79475708 1.14690668 1.32804255 Ti 32.64286555 32.76445696 28.86676131 1.06636426 -0.65430236 0.01434406 Ti 34.77092059 35.12809687 28.71338970 -0.63691888 -0.68706871 0.22138937 Ti 34.87922622 33.04128870 30.69162404 0.29675776 -1.52780482 0.48125175 Ti 32.99958344 34.88648993 31.05241932 -1.71901510 0.57953527 -0.31774059 Ti 28.91171793 28.98931951 32.93518230 -0.08949291 -0.66915050 0.06507325 Ti 30.83560407 30.89504755 33.06022393 0.77869154 0.79483816 -1.13722161 Ti 31.26320116 28.58678144 34.76462667 -0.95282005 0.36955192 1.02392125 Ti 28.79602190 30.99095756 34.96284381 -0.86557508 -0.71717699 0.41615406 Ti 32.79015260 29.01002600 32.78932210 0.94899455 -0.99732965 0.05229868 Ti 34.73948819 30.61078896 32.65559905 1.18143057 1.96663073 0.48707022 Ti 35.05951323 28.58267377 35.05411436 -0.95259827 0.85836154 -0.91621326 Ti 33.07356718 31.08456015 35.10057758 -1.14670230 -1.43253081 -0.64612084 Ti 28.92240816 32.95146226 33.05697714 -1.12747074 -2.08150628 -3.16834791 Ti 30.76446284 34.84126137 33.02139951 2.62165352 0.15561804 -1.26601751 Ti 30.63945341 32.79462612 35.19411633 3.57648124 0.02113018 0.20740801 Ti 28.93457846 34.65679829 34.86525067 -1.75866164 2.02550702 2.01792773 Ti 32.86548882 32.64223210 32.65502850 -1.04182717 0.74448219 0.96961860 Ti 34.82555780 34.86236399 33.10902394 0.41505804 0.48867373 -1.12387022 Ti 34.81969668 33.06544074 35.00151550 0.56726321 -0.67685533 0.09606847 Ti 32.84846854 35.19266815 35.07020705 -1.28216832 -0.93625910 -0.33485276