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=-14.681690775338764 stress="-0.6648083831295164 0.18371839005531013 -0.0013854910790705515 0.18371839005531013 -0.9383180930586884 -0.07704121756291346 -0.0013854910790705515 -0.07704121756291346 -1.086717435907639" free_energy=-14.681690775338764 pbc="T T T" C 2.85540510 0.11115480 0.11044915 2.67728334 -1.31473292 3.15624078 C 1.58639575 1.31143450 2.83833517 1.53783370 1.53709686 -4.17991159 C 1.28829595 2.83509776 1.64041416 -1.05955121 -2.76274435 4.45162466 C 2.73707601 1.51878885 1.32834452 -3.15556584 2.54038040 -3.42795385