16 Lattice="42.0 0.0 0.0 0.0 42.0 0.0 0.0 0.0 42.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=571.8457879883771 stress="-0.05154038126803968 -0.010875062151043956 -0.02020525407494638 -0.010875062151043956 -0.05705037001037713 -0.010838724097970702 -0.02020525407494638 -0.010838724097970702 -0.04856519119302929" pbc="F F F" Db 21.22273837 20.71259754 20.89740532 -28.06996322 -17.86512831 -8.36706760 Db 22.23061539 22.77989079 22.27803234 465.01370912 -342.07658355 301.25414847 Db 23.92695121 21.02782932 20.87736020 23.08553991 1.30384054 0.60744158 Db 25.36296229 22.53164534 22.96905067 209.56505896 79.72565599 -240.56087251 Db 20.70100842 23.78361954 21.06626582 -473.63698538 269.92496524 -369.48549814 Db 22.47464155 25.41917153 22.11084762 -192.02075060 245.66862424 189.60071087 Db 23.99123948 24.16037763 20.93624860 124.39362239 -247.41474429 -326.24690631 Db 25.51091995 25.09541365 22.51073155 132.87779491 116.15201608 76.74906504 Db 21.20501529 21.20408018 24.06358344 -862.93841132 -1033.77741369 -975.30519408 Db 22.25965477 22.44598822 25.31183029 888.39627688 348.95466242 1479.16298834 Db 24.20116403 20.81787628 24.05940688 -199.64735767 -271.30390984 26.88143375 Db 25.47164604 22.29539260 25.52275185 92.74745536 63.65729144 156.70630048 Db 21.15896904 24.02366968 24.22481651 -508.67720106 285.47022266 -350.49935049 Db 22.38791237 25.71622072 25.28825599 97.64928278 221.44672154 133.44674822 Db 23.72572932 23.81328126 24.24095777 209.08595395 248.82688393 -147.80567499 Db 25.43367483 25.61481898 25.06999824 22.17597499 31.30689560 53.86172735