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=85.21189244574636 stress="-5.80508613930072 0.25547733658374316 -0.14288138465192007 0.25547733658374316 -3.303043829441192 0.15476218783657483 -0.14288138465192007 0.15476218783657483 -3.1710598944688115" free_energy=85.21189244574636 pbc="T F F"
Ca      -0.06254558       0.09073906       0.27219963      -5.28816644     -34.98254225     -35.60068051
Ca       1.43381326       1.63132919       0.25978669       4.85914649      31.07786755     -29.66391766
Ca       1.22592512       0.18365717       1.70288723      13.39768170     -32.90635550      33.38436351
Ca       0.08343331       1.29585403       1.44809454     -12.96866176      36.81103020      31.88023465