32 Lattice="8.222599029541016 0.0 0.0 0.0 8.222599029541016 0.0 0.0 0.0 8.222599029541016" Properties=species:S:1:pos:R:3:forces:R:3 energy=-85.856169994 stress="-0.003639910773158312 -0.0028332843463233916 0.0077770414319277 -0.0028332843463233916 -0.004329731668080395 0.01661264780477995 0.0077770414319277 0.01661264780477995 0.008896297583906873" pbc="F F F" Ti -0.14807630 -0.07459033 -0.23094650 0.66099512 0.53225173 0.90796509 Ti 2.00446703 1.84902826 0.12907319 -1.05418880 0.91832802 -1.07380986 Ti 2.10555426 -0.04692795 2.19257544 -1.44035234 -0.98429521 -0.58553347 Ti -0.15478559 2.04601697 2.08296403 0.72433527 0.28036257 0.66738165 Ti 4.04607674 -0.10528220 -0.18556649 -0.24197062 -0.05108775 0.12431113 Ti 5.92322884 2.22548449 -0.15756467 0.14655470 -0.16633212 0.09823468 Ti 6.32870124 0.01975406 1.79668417 -0.67528196 -0.01642861 0.18262362 Ti 3.85691001 1.82233711 1.86978665 1.69265659 2.13707856 1.23780242 Ti -0.02505198 4.08223445 0.18822135 -0.33614164 -0.77346900 -1.39102387 Ti 2.30057638 5.93873702 0.01752621 -0.43345413 1.91713879 -0.81076741 Ti 1.87032772 4.26313455 1.96700676 1.87216066 -2.56479791 2.17263270 Ti 0.19644881 6.18965070 1.86846767 -0.79475708 1.14690668 1.32804255 Ti 3.86376895 3.98536035 0.08766471 1.06636426 -0.65430236 0.01434406 Ti 5.99182399 6.34900026 -0.06570690 -0.63691888 -0.68706871 0.22138937 Ti 6.10012962 4.26219210 1.91252743 0.29675776 -1.52780482 0.48125175 Ti 4.22048684 6.10739332 2.27332272 -1.71901510 0.57953527 -0.31774059 Ti 0.13262132 0.21022290 4.15608569 -0.08949291 -0.66915050 0.06507325 Ti 2.05650747 2.11595094 4.28112732 0.77869154 0.79483816 -1.13722161 Ti 2.48410456 -0.19231517 5.98553007 -0.95282005 0.36955192 1.02392125 Ti 0.01692530 2.21186096 6.18374721 -0.86557508 -0.71717699 0.41615406 Ti 4.01105599 0.23092940 4.01022550 0.94899455 -0.99732965 0.05229868 Ti 5.96039158 1.83169236 3.87650244 1.18143057 1.96663073 0.48707022 Ti 6.28041662 -0.19642283 6.27501775 -0.95259827 0.85836154 -0.91621326 Ti 4.29447058 2.30546355 6.32148098 -1.14670230 -1.43253081 -0.64612084 Ti 0.14331156 4.17236565 4.27788054 -1.12747074 -2.08150628 -3.16834791 Ti 1.98536624 6.06216476 4.24230290 2.62165352 0.15561804 -1.26601751 Ti 1.86035681 4.01552952 6.41501972 3.57648124 0.02113018 0.20740801 Ti 0.15548185 5.87770169 6.08615407 -1.75866164 2.02550702 2.01792773 Ti 4.08639221 3.86313550 3.87593189 -1.04182717 0.74448219 0.96961860 Ti 6.04646120 6.08326738 4.32992734 0.41505804 0.48867373 -1.12387022 Ti 6.04060008 4.28634414 6.22241890 0.56726321 -0.67685533 0.09606847 Ti 4.06937193 6.41357154 6.29111044 -1.28216832 -0.93625910 -0.33485276