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=108.78240907511974 stress="-6.992648801603762 -0.3479201191166947 -0.07573079496328125 -0.3479201191166947 -6.700377052202406 0.5182559051105236 -0.07573079496328125 0.5182559051105236 -4.157466918863032" free_energy=108.78240907511974 pbc="T T F"
Ca       0.06504129      -0.29134056       0.22277084       9.55451881      19.85242573     -40.19061993
Ca       1.68584377       1.68362810       0.19581920     -12.39992469      -9.64196253     -41.86535219
Ca       1.64685009       0.42259636       1.67626233     -10.32157596      -7.01787936      37.83888930
Ca      -0.14597521       1.70996341       1.49207130      13.16698184      -3.19258384      44.21708282