16 Lattice="6.0 0.0 0.0 0.0 6.0 0.0 0.0 0.0 6.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=571.8457879883777 stress="-3818.5237673865395 -805.7116046465612 -1496.9668639046413 -805.7116046465612 -4226.747813328824 -803.0193909704435 -1496.9668639046413 -803.0193909704435 -3598.0978851091622" pbc="F F F" Db 0.22273837 -0.28740246 -0.10259468 -28.06996322 -17.86512831 -8.36706760 Db 1.23061539 1.77989079 1.27803234 465.01370912 -342.07658355 301.25414847 Db 2.92695121 0.02782932 -0.12263980 23.08553991 1.30384054 0.60744158 Db 4.36296229 1.53164534 1.96905067 209.56505896 79.72565599 -240.56087251 Db -0.29899158 2.78361954 0.06626582 -473.63698538 269.92496524 -369.48549814 Db 1.47464155 4.41917153 1.11084762 -192.02075060 245.66862424 189.60071087 Db 2.99123948 3.16037763 -0.06375140 124.39362239 -247.41474429 -326.24690631 Db 4.51091995 4.09541365 1.51073155 132.87779491 116.15201608 76.74906504 Db 0.20501529 0.20408018 3.06358344 -862.93841132 -1033.77741369 -975.30519408 Db 1.25965477 1.44598822 4.31183029 888.39627688 348.95466242 1479.16298834 Db 3.20116403 -0.18212372 3.05940688 -199.64735767 -271.30390984 26.88143375 Db 4.47164604 1.29539260 4.52275185 92.74745536 63.65729144 156.70630048 Db 0.15896904 3.02366968 3.22481651 -508.67720106 285.47022266 -350.49935049 Db 1.38791237 4.71622072 4.28825599 97.64928278 221.44672154 133.44674822 Db 2.72572932 2.81328126 3.24095777 209.08595395 248.82688393 -147.80567499 Db 4.43367483 4.61481898 4.06999824 22.17597499 31.30689560 53.86172735