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=12457.703632589726 stress="-0.7453603984645953 0.002035580663005486 -0.03787820151822842 0.002035580663005486 -0.7852229661110323 -0.0004736887882934175 -0.03787820151822842 -0.0004736887882934175 -0.7239314243189673" pbc="F F F" Pm 20.81021683 20.93735496 21.23233972 -611.32825147 -968.72654395 -397.33317108 Pm 22.68107628 22.55924774 22.56436079 -2688.11772433 -1625.71143205 -1781.54833321 Pm 24.05144569 21.01142140 20.71119471 313.00310565 -829.27964767 -1140.55325862 Pm 25.62672437 22.61046727 22.61659598 6542.10294295 -1236.52353710 -4931.86370651 Pm 20.89313627 23.82645556 21.06182514 -1775.17144370 996.48187211 -1382.05643352 Pm 22.71760980 25.60257737 22.54837157 -3160.43708730 6535.50973526 -57.98454690 Pm 23.80894869 24.23246227 20.82509142 2403.68253883 -1930.06643059 -5409.38952780 Pm 25.57221406 25.76712586 22.29643091 2008.01828921 1701.47771716 -508.61551770 Pm 20.83052693 20.97918045 24.53335803 -2529.56755543 -2355.65111904 -772.72940712 Pm 22.60707439 22.62329171 25.24734708 1292.47026312 -943.95084187 5582.10211505 Pm 24.21972979 20.88377231 23.75906345 -349.45708263 -5517.13263397 2257.71760318 Pm 25.38996395 22.70402917 25.54774379 3266.28892713 -2683.44300300 4123.10278884 Pm 21.08996517 24.29780872 24.08672274 -6001.00233685 -666.09626300 -1365.72116204 Pm 22.53172660 25.79345136 25.50432266 1600.64454836 2606.58672754 2687.84315033 Pm 24.21837945 24.10261614 23.89049855 -1011.13743403 5849.67775041 2405.82606094 Pm 25.75733191 25.54530897 25.68991547 700.00830049 1066.84764976 691.20334616