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=111.17682407188776 stress="-6.764057929639954 0.024074158328168366 -0.006286528639751633 0.024074158328168366 -4.102721113874493 -0.0407960241723173 -0.006286528639751633 -0.0407960241723173 -7.335984356936821" free_energy=111.17682407188776 pbc="T F T"
Ca       0.03848316       0.19178619       0.17895518      11.29135293     -39.84846763     -10.67957633
Ca       1.79140871       1.61455359       0.09583508     -15.47498331      44.12602858      -6.11435884
Ca       1.64904689       0.10609294       1.46603997     -13.69058729     -43.46020296       7.54664041
Ca      -0.19401975       1.32157598       1.51361598      17.87421768      39.18264201       9.24729476