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=109.4124592631055 stress="-155.0995154724722 9.576582279983493 -3.295169700191564 9.576582279983493 -116.32452472678953 11.601426772415186 -3.295169700191564 11.601426772415186 -189.7364674924014" pbc="T F T" Ca -0.04210664 0.19178619 0.15463060 336.16581778 -1080.97841820 -12.03952287 Ca 1.79140871 1.61455359 0.09583508 -420.26983648 1370.17321784 -109.89133923 Ca 1.64904689 0.10609294 1.46603997 -201.03829749 -1248.93039014 242.40975900 Ca -0.19401975 1.32157598 1.45107040 285.14231619 959.73559050 -120.47889690