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=3.51123442824879 stress="-0.00017603441895101276 -1.4082080326040693e-05 -2.9958824686514082e-05 -1.4082080326040693e-05 -0.00018308117708763273 -1.1986266812348326e-05 -2.9958824686514082e-05 -1.1986266812348326e-05 -0.00017183340768334187" free_energy=3.51123442824879 pbc="F F F" F 20.87719504 20.79869006 21.11041876 -0.52414977 -0.67355930 -0.43996728 F 22.26735611 22.33533445 22.24148635 0.55601706 -0.39525839 0.71774529 F 24.08611608 21.03369179 21.02598936 -0.17390485 -1.14394997 -0.94290529 F 25.22329650 22.46375436 22.40583543 1.77557362 -0.30963886 0.86644422 F 20.75559716 23.70178472 21.29874826 -1.23163559 0.45752740 -1.06466050 F 22.27290972 25.38090187 22.36136659 0.72990364 1.37438701 -0.78543752 F 24.05835534 23.74645637 20.98193431 -0.36867492 0.90799219 -1.29090106 F 25.42001865 25.70070203 22.35831741 0.19481664 0.24313436 -0.04346526 F 20.90085166 20.99793547 24.34175779 -0.56351407 -0.49068594 -0.15285544 F 22.21246937 22.64884422 25.60170120 0.11572462 -0.11674272 0.99163376 F 23.69219095 20.71904386 23.98926667 0.17894948 -0.44132761 0.19731563 F 25.74624097 22.64302402 25.35498893 0.29443859 -0.23002334 0.26524761 F 21.11042859 24.20947124 23.85512851 -1.58748167 -0.52466471 0.65677627 F 22.58558427 25.41333883 25.34655491 -0.08215645 0.84058265 0.77248253 F 23.77213209 23.69596980 23.91049160 0.22050417 0.14655702 -0.01024661 F 25.22286420 25.43858073 25.25205420 0.46558950 0.35567019 0.26279366