16 Lattice="6.0 0.0 0.0 0.0 6.0 0.0 0.0 0.0 6.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=-52.121616669135335 stress="-34.89589055838792 0.9984399230146099 -1.953943757698939 0.9984399230146099 -21.75081523625297 -5.793249095811326 -1.953943757698939 -5.793249095811326 -21.546987377795766" pbc="F F F" Ti -0.08129564 0.04860922 0.11044915 -0.63560043 -0.27718600 -0.66658057 Ti 1.70960170 1.31143450 1.33833517 -2.24445908 3.90372823 0.87341519 Ti 2.78829595 -0.16490224 0.14041416 0.44290626 -3.13703397 -2.68621867 Ti 4.27812781 1.51878885 1.10681310 3.09050759 0.65816083 1.81723371 Ti -0.12320595 2.95894820 0.20259391 -1.44493012 -1.13804372 -0.67532415 Ti 1.56504129 4.20865944 1.36550211 -1.79476494 4.86866596 2.81633386 Ti 2.78802619 3.22277084 0.18584377 2.43475172 -1.07571074 -4.75954839 Ti 4.67814238 4.53708740 1.48825709 -0.19624340 -0.30727976 1.06352317 Ti 0.26959405 0.17626233 2.85402479 -3.04322667 -1.04307215 0.38856412 Ti 1.52664478 1.41193524 4.65300231 0.35318777 0.16091013 2.56197480 Ti 2.78244863 -0.04225341 2.91852158 2.13038967 -2.41368474 0.83531026 Ti 4.45789336 1.38825682 4.27041603 0.69331244 0.35677963 0.19648365 Ti 0.19178619 3.17895518 3.29140871 -2.99012021 -1.22634940 -1.24552557 Ti 1.70529265 4.53253581 4.64904689 -0.89475201 2.33044541 2.23375197 Ti 2.78091226 3.10609294 3.23823960 2.16561664 -2.28494327 -3.27550404 Ti 4.30598025 4.25538924 4.64494517 1.93342475 0.62461356 0.52211067