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=32.962578867987276 stress="-6.676858803340459 -0.2507904773917048 0.08618743868928058 -0.2507904773917048 -6.36093228667386 0.6712489972871788 0.08618743868928058 0.6712489972871788 -4.588899925720066" pbc="T T F" Mo 0.20996341 -0.00792870 0.15300231 -8.49196096 -5.71011989 -43.88401263 Mo 1.53848316 1.45774659 0.19178619 9.85008157 14.38336525 -54.05379739 Mo 1.64499516 0.29140871 1.61455359 -3.52848198 -26.67213248 46.55203701 Mo 0.04615180 1.50103395 1.28091226 2.17036137 17.99888712 51.38577301