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=84.7976220779 pbc="F T T" Ca -0.25271761 0.22817528 0.06304267 20 -32.79826211 -9.18642322 -10.91148505 Ca 1.70070203 1.20342959 -0.09914834 20 31.64217219 12.07095859 -3.81239987 Ca 1.49793547 0.13686132 1.36514043 20 26.47024339 -13.83597477 4.28767647 Ca 0.03734053 1.51504004 1.22448856 20 -25.31415346 10.95143940 10.43620844