16 Lattice="21.0 0.0 0.0 0.0 21.0 0.0 0.0 0.0 21.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=11.125286067475724 stress="0.012102300456023207 -0.0024359521519189656 0.0035638257915158486 -0.0024359521519189656 -0.0038143887825762093 0.006928077902422812 0.0035638257915158486 0.006928077902422812 -0.0005625584046822747" free_energy=11.125286067475724 pbc="F F F" H 10.63451529 10.63132919 10.46321628 -0.00741312 0.65590940 3.12980829 H 10.97592512 11.03504734 11.33450883 83.02545646 28.11093532 -5.12329540 H 12.20082270 10.86530570 10.30586595 -8.12972810 -0.00390676 18.90132459 H 12.68262793 11.57264612 11.48171545 -3.93142858 -29.18488586 25.75973023 H 10.68190327 11.82183498 10.71219253 2.34462264 18.58237130 -24.32947884 H 11.05278740 12.59895051 11.03303052 4.24975168 -21.02113377 4.75984834 H 12.52902295 12.20512402 10.48861752 -6.22104880 29.59178323 -14.96415895 H 12.68745801 12.67547280 11.35133187 12.80235436 29.57751198 -21.34145229 H 10.55473499 10.41561068 12.13661615 -14.36684664 -22.59772522 32.06111664 H 11.06813917 10.97374995 12.54869006 -5.19319353 4.88757106 -21.98427146 H 12.11041876 10.42224393 11.89521985 -5.56441861 33.21099090 -5.27657551 H 12.19394381 11.50042691 12.59794909 -14.48752127 -27.27383748 -5.79506875 H 10.52598936 11.72329650 11.96375436 12.56343327 8.00049080 29.42203358 H 11.15583543 12.50559716 12.44022537 8.74001760 -27.10163853 -11.90036509 H 12.33152540 11.77290972 11.88090187 -90.31082974 -90.16890554 -12.50863988 H 12.51108633 12.68201670 12.45743311 24.48679237 64.73446917 9.18944452