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=59.662199922324824 stress="-6.1215264802423315 -1.2167229559586248 1.7410253715436008 -1.2167229559586248 -10.470611599828635 1.8134915900475521 1.7410253715436008 1.8134915900475521 -9.613382000454349" pbc="F T T" W 0.22094491 0.23171545 0.18190327 -56.79758009 0.77013477 -17.89624304 W 1.32183498 1.71219253 -0.07514625 55.68621847 -63.04409325 43.73509950 W 1.62990665 -0.21779550 1.78278197 66.43251855 71.53180324 -63.31111822 W 0.06210000 1.70397289 1.32702941 -65.32115693 -9.25784476 37.47226176