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=90.78378333347578 stress="-3.310373892870611 -0.23921793784930578 0.07725973330401235 -0.23921793784930578 -6.323574840482656 0.22261576736392244 0.07725973330401235 0.22261576736392244 -3.264873580849917" free_energy=90.78378333347578 pbc="F T F"
Ca       0.05473499      -0.12063495       0.13661615     -39.38411829       1.48883045     -36.52648820
Ca       1.40480033       1.28303047       0.11041876      32.40145068       2.16327870     -33.35644043
Ca       1.26735611      -0.16466555       1.24148635      38.44849041       3.09244846      34.50133584
Ca       0.08611608       1.53369179       1.52598936     -31.46582280      -6.74455761      35.38159279