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=-14.290123771570116 stress="0.5654991471857709 0.031652700103225864 -0.04137211423521186 0.031652700103225864 0.5935279132688357 -0.23173434817831381 -0.04137211423521186 -0.23173434817831381 0.36076668272941326" pbc="T T F" C -0.12320595 -0.04105180 0.20259391 -2.28100803 0.73004950 3.13539959 C 1.56504129 1.20865944 0.22277084 1.57844905 -5.03078660 3.47666716 C 1.68584377 0.18362810 1.69581920 2.54947862 1.04683271 -3.41848714 C 0.00087488 1.76959405 1.67626233 -1.84691964 3.25390438 -3.19357961