32 Lattice="57.717742919921875 0.0 0.0 0.0 57.717742919921875 0.0 0.0 0.0 57.717742919921875" Properties=species:S:1:pos:R:3:forces:R:3 energy=-103.3023050035917 stress="-4.776313878600992e-05 -2.604913599591422e-05 -3.706833754876116e-05 -2.604913599591422e-05 -0.00010138225895112522 2.9870400872563543e-06 -3.706833754876116e-05 2.9870400872563543e-06 -8.625741660965529e-05" free_energy=-103.3023050035917 pbc="F F F" Ti 28.67794764 28.79523223 29.24321090 0.21178226 0.08980091 0.28802591 Ti 30.99840867 31.03532157 29.02613263 0.09688691 -0.41720719 -1.14966847 Ti 30.77736973 29.08182130 31.14331352 1.42671851 -0.53462650 -1.44510715 Ti 28.99961575 31.14988593 30.68123370 -1.01417298 -1.54053006 2.06796829 Ti 33.16270442 28.74103942 29.02873922 -0.92059770 -0.42285245 0.28947968 Ti 34.86978720 30.69701079 28.86862360 0.97159608 0.60084931 -0.47686274 Ti 35.25584240 28.73757666 30.92394994 -0.72721292 0.49623141 0.24156040 Ti 33.03558985 30.93298108 30.77251511 0.41123976 -0.33946572 1.31349050 Ti 28.61366667 32.95626091 28.98875657 0.59888593 1.50186097 -0.62360410 Ti 30.94323021 34.90313701 28.63428479 -0.33603482 -0.63907074 0.98018651 Ti 30.98375916 32.90597372 31.12725208 0.24814503 0.99569887 -2.78954314 Ti 28.97914363 34.84311111 31.12730061 0.01159535 0.02061199 -0.48342892 Ti 33.19749980 33.14006176 29.02451908 -1.39264832 -1.15446777 -1.77368510 Ti 35.13359296 35.02568311 28.83324854 0.47348162 0.16250300 0.02876204 Ti 35.08827018 32.89964239 30.73698368 0.78815332 0.06958664 0.67934761 Ti 33.09466844 35.09117810 30.69844855 -0.56739789 0.73425326 0.21955027 Ti 28.95671071 28.91389970 32.98734535 -0.33235171 0.61048846 1.00093054 Ti 31.05773403 31.10838674 32.92212005 -1.17572641 -3.26261153 1.19986147 Ti 31.28095375 28.85850375 35.07886506 -0.23096210 0.29558437 -0.36551857 Ti 28.70589540 31.13672237 35.12295632 -0.19482338 -2.07274719 0.44076753 Ti 33.20776648 28.77799928 33.06772450 -0.63511241 0.40601970 -1.79641941 Ti 35.24924173 31.01203861 32.91921902 -0.43812157 -0.48809044 0.21409133 Ti 34.83177803 28.84805887 35.00006439 0.40248454 0.25266303 0.92307801 Ti 33.13859318 31.06239692 35.08448112 -0.89724442 -2.03681771 0.83966340 Ti 28.90872685 32.76716334 33.19246178 -1.25911341 1.54804759 -2.20729614 Ti 31.27769129 34.83287690 32.83931285 -1.32400723 1.98112266 0.56666015 Ti 30.74311817 32.77107090 34.94286371 1.67290003 0.11824361 1.96497337 Ti 29.24710677 34.89678691 35.25965656 0.39824895 0.57895913 -0.36517777 Ti 32.87886717 32.83348793 33.21873999 1.56845879 0.12741252 -1.96356040 Ti 34.69728777 34.75205059 32.79586477 0.03406350 0.55733686 0.60909243 Ti 34.82637277 32.92489150 34.89910799 1.78919593 1.16894653 0.91243993 Ti 32.61272316 34.80075385 35.11278961 0.34169075 0.59226649 0.65994257