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=90.77250301027475 stress="-3.31037278849278 -0.23921636183482617 0.07725955859258915 -0.23921636183482617 -6.323241738879496 0.22261447960177416 0.07725955859258915 0.22261447960177416 -3.264872469481205" free_energy=90.77250301027475 pbc="F T F"
Ca       0.05473499      -0.12063495       0.13661615     -39.38410669       1.48883272     -36.52647741
Ca       1.40480033       1.28303047       0.11041876      32.40143817       2.16325347     -33.35642786
Ca       1.26735611      -0.16466555       1.24148635      38.44847945       3.09244066      34.50132610
Ca       0.08611608       1.53369179       1.52598936     -31.46581092      -6.74452685      35.38157918