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:forces:R:3 energy=-2.2502029116719537 stress="-21.08012358100013 -0.2138740664476546 -0.24970536459562886 -0.2138740664476546 -19.631629191744352 -0.2716389559534136 -0.24970536459562886 -0.2716389559534136 -19.681853930316176" pbc="F F F" Ti 0.26959405 0.17626233 -0.14597521 -6.00134592 -7.10843205 -9.31485181 Ti 1.70996341 1.49207130 0.15300231 8.11579094 7.82181512 -4.83222639 Ti 1.53848316 -0.04225341 1.41852158 5.52408541 -7.13328074 7.35140149 Ti -0.04210664 1.38825682 1.27041603 -7.63853043 6.41989766 6.79567671