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=88.62749224592838 stress="-74.02260228374735 2.730907580482915 -5.691758487470363 2.730907580482915 -133.65640908491494 -8.173846010101807 -5.691758487470363 -8.173846010101807 -84.17356212854592" pbc="F T F" Ca 0.08611608 -0.04628956 0.02598936 -871.53508713 -76.97536625 -1114.37647469 Ca 1.22329650 1.16718395 0.29874826 856.57186501 -95.09170027 -626.24319157 Ca 1.27290972 0.16277425 1.36136659 843.88886037 32.25761151 752.66276946 Ca 0.05835534 1.25646829 1.48193431 -828.92563825 139.80945502 987.95689680