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=52.89814246638538 stress="-0.004379278731747012 0.00012932449089717195 6.01865092958308e-05 0.00012932449089717195 -0.0034513540095834024 -0.00040435776650246864 6.01865092958308e-05 -0.00040435776650246864 -0.0038490151940524086" free_energy=52.89814246638538 pbc="F F F" Ti 20.85540510 21.11115480 21.11044915 -11.07072473 -9.63204780 -7.86510021 Ti 22.70960170 22.31143450 20.83833517 10.30316649 19.09997153 -5.07667444 Ti 22.32198775 20.83509776 22.64041416 5.70108832 -10.64601041 4.50465843 Ti 20.77812781 22.51878885 22.32834452 -6.13196389 12.90283389 10.90726459 Ti 23.90278341 20.95894820 20.92589040 4.90277122 -7.87134294 -0.58418673 Ti 25.56504129 22.17241380 20.86550211 4.72363847 -1.17653044 -6.02909783 Ti 25.28802619 21.22277084 22.68584377 2.88824562 -15.63083901 -12.63892416 Ti 24.18362810 22.69581920 22.55268552 -26.35139187 -16.76609858 1.15389016 Ti 21.02519121 23.87804706 20.85402479 -4.36501491 -4.41047841 -7.90214349 Ti 22.70996341 25.49207130 21.15300231 -6.44876638 9.06069579 -17.37688039 Ti 22.53848316 23.95774659 22.41852158 7.95015389 -19.19841195 8.99351913 Ti 20.95789336 25.38825682 22.27041603 -7.79627798 5.48046439 4.60490342 Ti 24.19178619 24.17895518 21.29140871 -18.23771905 -12.75799949 -32.97484349 Ti 25.61455359 25.30544553 21.02994876 11.79546220 6.24497093 -6.27475881 Ti 25.28091226 23.96745953 22.46603997 39.60726328 -8.05210398 1.66741174 Ti 23.86433559 25.32157598 22.51361598 -5.46253172 27.56649712 15.23323298 Ti 20.83392136 20.89569406 24.26400130 -19.12501224 -14.86314593 -13.76480709 Ti 22.43745442 22.27846858 23.99451428 14.30775862 19.77682536 -18.72619688 Ti 22.34126820 20.84140700 25.31668137 18.32888683 -8.82593193 4.15094709 Ti 20.91986395 21.94739505 25.59073906 -14.78709898 18.45634481 21.06572364 Ti 24.17305129 20.93381326 24.12926466 -2.23964806 -12.39613827 -2.90865783 Ti 25.75978669 22.22592512 23.78504734 5.20059452 13.84096526 4.44612300 Ti 25.68365717 21.48475961 25.58343331 8.72371578 -2.45946535 8.37230433 Ti 23.79585403 22.44809454 25.72094491 -8.35451556 2.03400026 5.96912542 Ti 21.23171545 24.18190327 23.83184690 -7.47251702 -9.93035705 -0.24014673 Ti 22.71219253 25.42485375 24.12990665 -3.50410161 14.88368464 -11.66976341 Ti 22.26673789 24.28278197 25.56210000 -3.50587318 -23.45782837 9.31961939 Ti 21.13362859 25.32702941 25.67204550 -14.00071088 11.64176877 1.98762117 Ti 24.04852473 24.05473499 23.79354433 -10.62193156 -7.95830623 18.88308142 Ti 25.63661615 25.40480033 23.59623890 12.16000967 19.28154612 1.36995663 Ti 25.29869006 24.11041876 25.26735611 14.35299176 -7.56194240 10.43728330 Ti 23.83533445 25.24148635 25.58611608 8.53005292 13.32440969 10.96551565