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=-9.569038067620374 stress="-1.2920155451631643 -0.18351172913038194 -0.46247078237947986 -0.18351172913038194 -1.6621628904073222 -0.17828233724030207 -0.46247078237947986 -0.17828233724030207 -1.4583173258659976" free_energy=-9.569038067620374 pbc="T T F" B 2.95894820 0.20259391 0.06504129 -11.56030111 4.71815973 -12.61402575 B 1.20865944 1.36550211 0.22277084 4.26535875 -8.72737694 -12.95277143 B 1.68584377 0.18362810 1.69581920 3.07690484 -13.78268941 11.44584484 B 0.14685009 1.76959405 1.67626233 4.21803751 17.79190662 14.12095234