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=441093.92876148125 stress="-1911407.468428103 520090.82603463845 401514.40556264087 520090.82603463845 -1254925.882799828 547930.6747705282 401514.40556264087 547930.6747705282 -2137511.218225386" pbc="F F F" Fr -0.24027316 0.15290819 -0.16232713 -160958.27669268 -239725.51661213 -250216.19576347 Fr 1.48170996 1.34999798 0.08236872 609515.80748368 594231.09421669 -1295529.27611586 Fr 1.69363151 0.28517187 1.51267578 710637.09157564 -929489.18436345 768194.27965994 Fr 0.20182073 1.31209874 1.33956009 -1159194.62236665 574983.60675889 777551.19221939