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=10.300513951640447 stress="-1.9204387722869962 0.43110559069742715 -0.09866530511553259 0.43110559069742715 -3.3630741945152884 -0.0035128112584628377 -0.09866530511553259 -0.0035128112584628377 -1.7905547606177983" free_energy=10.300513951640447 pbc="F T F" Zr 0.16265408 2.89999828 0.04052745 -20.84271063 3.92964134 -16.27079612 Zr 1.23417086 1.66646072 0.18168807 18.39883085 -3.75348361 -17.27555718 Zr 1.64109445 0.31383843 1.45376057 21.19024178 -5.01159127 14.86754898 Zr 0.11951579 1.21944010 1.63443557 -18.74636200 4.83543354 18.67880432