4 Lattice="3.0 0.0 0.0 0.0 3.0 0.0 0.0 0.0 3.0" Properties=species:S:1:pos:R:3:Z:I:1:forces:R:3 energy=38.287309685738485 pbc="T F T" Ti 0.26959405 0.17626233 -0.14597521 22 -10.97306217 -35.47652596 -19.57658607 Ti 1.70996341 1.49207130 0.15300231 22 -18.79615097 42.44310146 -34.31529751 Ti 1.53848316 -0.04225341 1.19943383 22 8.71557411 -41.63727776 20.46142923 Ti -0.04210664 1.38825682 1.27041603 22 21.05363904 34.67070226 33.43045435