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=109.39190576796159 stress="-3.8436326460451085 -0.3182253190209711 0.3751170406357384 -0.3182253190209711 -7.158058350598986 0.17251735590847142 0.3751170406357384 0.17251735590847142 -7.0016056569898915" free_energy=109.39190576796159 pbc="F T T"
Ca       0.22094491       0.30205975       0.18190327     -34.82859137      -3.58303105      -4.84882180
Ca       1.32183498       1.71219253      -0.07514625      34.02470543     -10.72890216       7.02237497
Ca       1.62990665      -0.21779550       1.78278197      42.38297778      14.46403043     -11.61130472
Ca       0.06210000       1.68215332       1.32702941     -41.57909183      -0.15209723       9.43775154