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=108.87276323534151 stress="-6.995923571868412 -0.34793201378554744 -0.07572637230531057 -0.34793201378554744 -6.7038511283411255 0.5182269614303374 -0.07572637230531057 0.5182269614303374 -4.157499129449604" free_energy=108.87276323534151 pbc="T T F"
Ca       0.06504129      -0.29134056       0.22277084       9.55437769      19.85190678     -40.19090652
Ca       1.68584377       1.68362810       0.19581920     -12.39968607      -9.64201736     -41.86569474
Ca       1.64685009       0.42259636       1.67626233     -10.32151745      -7.01759862      37.83922526
Ca      -0.14597521       1.70996341       1.49207130      13.16682584      -3.19229080      44.21737600