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=-2.7707700290957806 stress="0.3850467927783265 -0.4818657926927228 0.30459290110210385 -0.4818657926927228 0.559190562220551 -0.060582141381876974 0.30459290110210385 -0.060582141381876974 0.03976251772543149" free_energy=-2.7707700290957806 pbc="T T F" C 0.20259391 0.06504129 0.22277084 13.74872596 -5.07962937 5.56685766 C 1.68584377 1.68362810 0.19581920 -6.97524803 3.89820179 -4.45772316 C 1.64685009 0.26959405 1.63400892 -1.63961789 1.51043376 0.55378037 C 2.85402479 1.70996341 1.41059287 -5.13386004 -0.32900618 -1.66291488