16 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=19.22653192064509 stress="8.329665083787396e-06 1.5414774050716327e-05 2.3074865000488195e-05 1.5414774050716327e-05 -1.7183207753711168e-05 -6.8534628123333285e-06 2.3074865000488195e-05 -6.8534628123333285e-06 1.4050341051733197e-05" free_energy=19.22653192064509 pbc="F F F" Ti 21.21219253 20.92485375 21.12990665 -0.25919450 -0.25991354 0.26292828 Ti 22.28220450 22.78278197 22.70512402 -1.04762314 0.79009881 0.62204504 Ti 24.13362859 20.82702941 21.07034430 0.70365404 -0.13387308 -0.26175139 Ti 25.54852473 22.40972392 22.41561068 -0.34251956 -0.36688094 -0.60123987 Ti 21.13661615 23.90480033 20.87719504 0.38237178 0.36679073 0.27729609 Ti 22.29869006 25.61041876 22.26735611 -0.55125164 -0.60201939 -0.60884712 Ti 23.94576304 23.74148635 21.08611608 0.18095310 0.01073462 0.68913278 Ti 25.53369179 25.73546060 22.22329650 0.47256168 0.49124052 -0.54742752 Ti 21.01656150 20.90583543 23.75559716 0.22613871 0.53411842 -0.23700001 Ti 22.20178472 22.71208710 25.27290972 -0.35937978 -0.03200717 -1.43996290 Ti 23.88090187 20.86136659 24.05835534 0.50683210 0.01634447 0.71979010 Ti 25.09301128 22.48193431 25.42001865 -0.28454150 -0.39976083 -0.25143029 Ti 21.20070203 23.70342959 23.90085166 0.89677732 -0.57528417 0.33072929 Ti 22.49793547 25.78187239 25.51001192 0.21542653 0.51983946 0.60703692 Ti 23.85694574 23.92400964 23.78842525 -0.64254328 -0.68516136 -0.04407682 Ti 25.21904386 25.50082602 25.74624097 -0.09766186 0.32573344 0.48277741