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=-27.463147726688476 stress="-0.0019372789303303683 0.0008052619063094302 0.0006253660225932873 0.0008052619063094302 -0.0023352414566000165 -0.0004708428083012121 0.0006253660225932873 -0.0004708428083012121 -0.002514345930427728" free_energy=-27.463147726688476 pbc="F F F" U 21.13451529 20.83475878 21.16063835 0.67153155 0.24366610 -0.35584008 U 22.22592512 22.28298281 22.96552955 23.65865884 -4.82127997 -25.57637973 U 24.21289915 21.06796670 20.89755523 -1.18279818 0.36662550 0.62379528 U 25.44809454 22.72094491 22.73171545 58.71809952 -52.20717213 -44.23189217 U 21.05983692 23.54087884 21.21301855 -0.92759729 0.77400432 -3.65977346 U 22.67109472 25.48489559 22.39263309 -0.56995348 1.45014162 -0.36509117 U 24.49225321 23.91722851 21.13362859 -8.65850971 -1.12655629 -16.30293902 U 25.37983655 25.48368313 22.39507964 5.65996755 10.31200303 3.28341264 U 21.05473499 20.91561068 24.00902850 -17.39951820 -20.00390470 3.43737304 U 22.22710877 22.28768664 25.29869006 3.88416156 4.19527060 16.92759715 U 23.83328297 20.92224393 23.89521985 4.57793084 -7.64874778 0.87578162 U 24.94394381 22.75042691 25.53369179 8.14177663 -11.49974151 20.86841060 U 21.02598936 23.72329650 23.77801166 -20.74709551 20.67919557 8.84157160 U 22.39427608 25.28837429 25.10150447 1.21280183 1.69297560 1.42947447 U 24.29874826 23.77290972 23.88090187 -58.76902085 53.69561836 31.64547199 U 25.23502795 25.51933208 25.02864944 1.72956490 3.89790168 2.55902724