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=-9.729506597022459 stress="0.21543490655314568 0.048643147474133216 0.01671505121592784 0.048643147474133216 0.5916975757878112 0.5311911990159413 0.01671505121592784 0.5311911990159413 0.8377458151147981" free_energy=-9.729506597022459 pbc="F F T" C 0.28187239 0.01001192 -0.01546661 2.94642225 1.86139193 1.34132659 C 1.60170120 1.37793365 -0.28095614 -2.39050161 -11.73846303 -10.32400421 C 1.50082602 0.24624097 1.64302402 -1.98288579 11.41598721 10.58304332 C 0.11042859 1.70947124 1.35512851 1.42696514 -1.53891611 -1.60036570