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=-27.4631477267 stress="-1.4932858760283485 0.6207088779881573 0.48204222647861844 0.6207088779881573 -1.8000418162096636 -0.36293323819183965 0.48204222647861844 -0.36293323819183965 -1.9380984362002267" pbc="F F F" U 0.13451529 -0.16524122 0.16063835 0.67153155 0.24366610 -0.35584008 U 1.22592512 1.28298281 1.96552955 23.65865884 -4.82127997 -25.57637973 U 3.21289915 0.06796670 -0.10244477 -1.18279818 0.36662550 0.62379528 U 4.44809454 1.72094491 1.73171545 58.71809952 -52.20717213 -44.23189217 U 0.05983692 2.54087884 0.21301855 -0.92759729 0.77400432 -3.65977346 U 1.67109472 4.48489559 1.39263309 -0.56995348 1.45014162 -0.36509117 U 3.49225321 2.91722851 0.13362859 -8.65850971 -1.12655629 -16.30293902 U 4.37983655 4.48368313 1.39507964 5.65996755 10.31200303 3.28341264 U 0.05473499 -0.08438932 3.00902850 -17.39951820 -20.00390470 3.43737304 U 1.22710877 1.28768664 4.29869006 3.88416156 4.19527060 16.92759715 U 2.83328297 -0.07775607 2.89521985 4.57793084 -7.64874778 0.87578162 U 3.94394381 1.75042691 4.53369179 8.14177663 -11.49974151 20.86841060 U 0.02598936 2.72329650 2.77801166 -20.74709551 20.67919557 8.84157160 U 1.39427608 4.28837429 4.10150447 1.21280183 1.69297560 1.42947447 U 3.29874826 2.77290972 2.88090187 -58.76902085 53.69561836 31.64547199 U 4.23502795 4.51933208 4.02864944 1.72956490 3.89790168 2.55902724