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=-29.5773039938 stress="-1.2704106223738945 -0.12449385343658949 -0.27361655984064726 -0.12449385343658949 -1.352461236096188 -0.16994054991756083 -0.27361655984064726 -0.16994054991756083 -1.1245485757355096" pbc="F F F" U -0.21701719 0.46552955 0.21289915 -3.97429531 -5.39750812 -2.62499639 U 1.58343331 1.28038742 1.54979575 -7.88322666 0.17197884 -0.10488462 U 3.09887856 0.23171545 0.18190327 -4.93370595 -14.73931306 -16.41439466 U 4.32183498 1.43123639 1.42567976 20.05577338 6.98940476 4.54124010 U 0.12990665 2.78220450 0.28278197 -3.34689545 5.95583383 -2.72318214 U 1.80834097 4.63362859 1.47005343 -2.98368871 4.72720740 0.82595337 U 2.92533323 3.04852473 0.05473499 1.67588105 2.37636421 -7.60986693 U 4.41561068 4.63661615 1.51522893 2.69021534 2.34122284 -0.34632863 U -0.12280496 -0.20130994 3.31989000 -5.55802337 -6.48366679 -1.84218693 U 1.26735611 1.33533445 4.24148635 3.23235975 -2.16652731 13.31730647 U 2.94124459 0.03369179 3.07879649 0.99109066 -14.75364554 1.60172948 U 4.22329650 1.37709319 4.40583543 8.86466053 -0.74449582 10.10875870 U -0.24440284 2.70178472 3.29874826 -12.14682114 2.48366196 -5.21828883 U 1.11946462 4.25331422 4.18367503 3.39403618 7.08673532 3.69360502 U 3.05835534 2.74645637 2.98193431 -1.91228428 9.30030180 1.31699321 U 4.33051025 4.42356623 4.14201031 1.83492398 2.85244567 1.47854276