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=99.85185457495382 stress="-5.1228725049858745 -1.4521960690710223 -0.04963879312413684 -1.4521960690710223 -6.98419652541477 0.43611993928030424 -0.04963879312413684 0.43611993928030424 -3.5181581548582517" free_energy=99.85185457495382 pbc="F T F"
In       0.04852473       0.35348325       0.13661615     -76.07944301     -28.51528769     -39.59882285 
In       1.40480033       1.15010476       0.11041876      65.33672027      38.44223290     -36.37369677 
In       1.26735611       2.83533445       1.24148635      41.73506990     -10.62933717      40.48042260 
In       0.08611608       1.53369179       1.52598936     -30.99234717       0.70239195      35.49209701