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=-12.2494059902 stress="-1.5746184570612891 -0.2372282610541437 0.5674553337800344 -0.2372282610541437 -2.128798567269174 -0.31777932238883255 0.5674553337800344 -0.31777932238883255 -2.4998642172471377" pbc="F F F" C -0.03624564 -0.09416457 -0.24440284 -2.07570255 -5.01065069 -4.30985214 C 1.20178472 1.79874826 -0.22709028 4.23501262 3.80212268 -4.12741824 C 1.38090187 -0.13863341 1.55835534 2.01018054 -1.88990257 2.26417434 C -0.25354363 1.48193431 1.42001865 -4.16949061 3.09843057 6.17309604