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=85.20061288468708 stress="-5.804761675225279 0.25547498752760944 -0.1428806752523786 0.25547498752760944 -3.303042641707752 0.1547619873521779 -0.1428806752523786 0.1547619873521779 -3.171058711497027" free_energy=85.20061288468708 pbc="T F F"
Ca      -0.06254558       0.09073906       0.27219963      -5.28817333     -34.98253022     -35.60066905
Ca       1.43381326       1.63132919       0.25978669       4.85915965      31.07785357     -29.66390501
Ca       1.22592512       0.18365717       1.70288723      13.39763611     -32.90634392      33.38435005
Ca       0.08343331       1.29585403       1.44809454     -12.96862244      36.81102057      31.88022401