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=-12.737439576048644 stress="-0.17615292028041304 0.04839398868028457 0.0763353139060283 0.04839398868028457 -0.16946328056979654 0.024285785216728206 0.0763353139060283 0.024285785216728206 -0.21462375400006714" free_energy=-12.737439576048644 pbc="F T F"
C       0.13661615       2.90480033       0.11041876      -1.27331743      -1.84696183      -0.71659632 
C       1.26735611       1.33533445       0.08611608       2.64533999       2.73847526      -3.93329210 
C       1.53369179       0.02598936       1.22329650       1.60929342      -3.44841536       1.32198811 
C       0.29874826       1.27290972       1.38090187      -2.98131598       2.55690193       3.32790031