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=30541.741960213767 stress="-2778.819363961908 559.8554540041723 -167.74494504012142 559.8554540041723 -5668.927161894533 2927.4956546938797 -167.74494504012142 2927.4956546938797 -5417.933665133105" pbc="F F T" Mc 0.29501296 0.10648855 -0.27015543 -23926.31520230 -105795.51303775 84955.87113239 Mc 1.52906851 1.27636289 -0.04744130 27165.54530013 25773.57588188 2249.19697162 Mc 1.20293212 0.06075998 1.30707995 35259.47718782 -23554.95301927 -17104.32844661 Mc 0.04847024 1.28273600 1.77900824 -38498.70728565 103576.89017515 -70100.73965740