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=109.48242648680153 stress="-3.843658994406175 -0.31819848285016206 0.3751259676290812 -0.31819848285016206 -7.161246028078703 0.17250036245329584 0.3751259676290812 0.17250036245329584 -7.004550295708845" free_energy=109.48242648680153 pbc="F T T"
Ca       0.22094491       0.30205975       0.18190327     -34.82882237      -3.58279082      -4.84885425
Ca       1.32183498       1.71219253      -0.07514625      34.02490129     -10.72905548       7.02237369
Ca       1.62990665      -0.21779550       1.78278197      42.38329757      14.46366713     -11.61145414
Ca       0.06210000       1.68215332       1.32702941     -41.57937648      -0.15182083       9.43793470