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=-2.706763946155667 stress="0.1772641389277625 0.01475852462073758 0.04252779639486131 0.01475852462073758 0.22181282453610532 -0.06169247374178607 0.04252779639486131 -0.06169247374178607 0.29395420350680584" free_energy=-2.706763946155667 pbc="F F T" N 0.26235339 0.21005355 0.26543935 1.58245247 3.29695972 -0.29310703 N 1.44968690 1.79594673 0.15710459 -1.48872240 -2.23626649 0.41621239 N 1.49042854 0.24122900 1.52201293 -2.10069841 1.39966936 -1.15392382 N 0.04376171 1.22051529 1.69273990 2.00696835 -2.46036259 1.03081846