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=42.46903372669048 stress="-15.171154285928443 -1.3125317564937837 -10.430157335228795 -1.3125317564937837 -3.8304501619268194 -1.9564119703611207 -10.430157335228795 -1.9564119703611207 -15.913552552849952" free_energy=42.46903372669048 pbc="T T T" N 0.21948022 0.09293560 0.01477119 -1.39842309 -26.77143315 -28.24494561 U 1.79553441 1.12627530 0.00601457 -241.03678416 -21.20171259 -248.67884098 N 1.34884021 2.63701961 1.26618854 14.44953437 -1.24528668 22.03446097 U 2.98006896 1.32526154 1.27999011 227.98567288 49.21843241 254.88932562