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=10286.736604054197 stress="-23779.693661566267 561.8021241604206 -637.7838157189708 561.8021241604206 -57869.72982952917 -32669.86686199119 -637.7838157189708 -32669.86686199119 -45512.89935925045" pbc="F F F" Mc 0.21674821 0.21104394 0.23657771 -8186.53973093 -39293.73860328 -34054.32320483 Mc 1.63791331 1.59436316 0.00514875 7201.13050449 5570.28614832 -7402.95868471 Mc 1.69482935 0.19531799 1.40807186 9115.13435515 -5498.29310258 7753.55230151 Mc 0.20779463 1.48783005 1.26662393 -8129.72512871 39221.74555754 33703.72958803