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=5.75624824891 stress="-10.87195450607146 -0.2117702100102987 -0.33256019755004984 -0.2117702100102987 -7.1275208223435005 -0.42512356043815325 -0.33256019755004984 -0.42512356043815325 -8.525336614120693" pbc="F F F" Ti 0.08942344 -0.04293576 0.27559981 -26.96362936 -15.23292943 -16.95623452 Ti 1.21321713 1.71736445 -0.21395222 15.57576908 9.46762789 -18.02711606 Ti 1.70384132 -0.20775377 1.23214964 23.83098957 -5.29199182 14.74605785 Ti 0.00041025 1.75551247 1.35444624 -12.44312929 11.05729337 20.23729272