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=-4.096765254816939 stress="0.3163334987259228 0.07153560286444591 0.029092344596167486 0.07153560286444591 0.35971917614888177 0.04172042073673121 0.029092344596167486 0.04172042073673121 0.310317464955694" free_energy=-4.096765254816939 pbc="T T T" N 0.20070203 2.70342959 2.90085166 -0.60546361 -2.10674237 -0.81619498 N 1.49793547 1.78187239 0.15303594 2.96053562 0.01714286 1.11284823 N 1.48453339 0.10170120 1.23292258 1.09203723 1.25260333 -1.16353137 N 2.71904386 1.50082602 1.74624097 -3.44710923 0.83699619 0.86687812