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=-29.577303993823307 stress="-0.0016833767263811597 -0.00016496245525803138 -0.000362559743028249 -0.00016496245525803138 -0.0017920991276999718 -0.00022518228481519697 -0.000362559743028249 -0.00022518228481519697 -0.001490100024935964" free_energy=-29.577303993823307 pbc="F F F" U 20.78298281 21.46552955 21.21289915 -3.97429531 -5.39750812 -2.62499639 U 22.58343331 22.28038742 22.54979575 -7.88322666 0.17197884 -0.10488462 U 24.09887856 21.23171545 21.18190327 -4.93370595 -14.73931306 -16.41439466 U 25.32183498 22.43123639 22.42567976 20.05577338 6.98940476 4.54124010 U 21.12990665 23.78220450 21.28278197 -3.34689545 5.95583383 -2.72318214 U 22.80834097 25.63362859 22.47005343 -2.98368871 4.72720740 0.82595337 U 23.92533323 24.04852473 21.05473499 1.67588105 2.37636421 -7.60986693 U 25.41561068 25.63661615 22.51522893 2.69021534 2.34122284 -0.34632863 U 20.87719504 20.79869006 24.31989000 -5.55802337 -6.48366679 -1.84218693 U 22.26735611 22.33533445 25.24148635 3.23235975 -2.16652731 13.31730647 U 23.94124459 21.03369179 24.07879649 0.99109066 -14.75364554 1.60172948 U 25.22329650 22.37709319 25.40583543 8.86466053 -0.74449582 10.10875870 U 20.75559716 23.70178472 24.29874826 -12.14682114 2.48366196 -5.21828883 U 22.11946462 25.25331422 25.18367503 3.39403618 7.08673532 3.69360502 U 24.05835534 23.74645637 23.98193431 -1.91228428 9.30030180 1.31699321 U 25.33051025 25.42356623 25.14201031 1.83492398 2.85244567 1.47854276