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:Z:I:1:forces:R:3 energy=85.9677276167 pbc="F T T" Ca -0.25271761 0.22817528 0.06304267 20 -981.16778913 -278.98243216 -411.43347478 Ca 1.70070203 1.20342959 0.01128025 20 1002.16380323 447.42553865 -165.34632216 Ca 1.49793547 0.49134363 1.36514043 20 778.91749224 -467.55920761 118.09578079 Ca 0.03734053 1.51504004 1.22448856 20 -799.91350634 299.11610112 458.68401615