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=0.17667952516115995 stress="0.0002485827908921257 -0.00013848727801556458 -0.00011202766329738672 -0.00013848727801556458 0.0002450079888057634 0.00032296544173387873 -0.00011202766329738672 0.00032296544173387873 0.0001942209841030831" free_energy=0.17667952516115995 pbc="F F F" C 20.91870436 21.04860922 21.20118821 -0.19699149 -0.14376765 -0.25658451 C 22.98180132 22.24524776 22.46966436 6.65911213 -10.36036777 -8.89151509 C 24.04808264 20.83509776 21.32407133 -7.66431824 9.62609173 7.55782755 C 25.27812781 22.72167608 22.41177783 1.47171286 0.02478367 -0.18445289 C 21.09773896 24.19066365 21.38449718 8.22748191 6.76878108 6.32317593 C 22.56504129 25.20865944 22.36550211 -1.73554790 -12.80966525 -13.60951895 C 23.78802619 24.22277084 21.18584377 -6.44299917 6.57187692 6.30576070 C 25.50546308 25.62067295 22.77675675 0.45108890 0.37531792 -0.27988015 C 21.05179855 21.45904430 23.91612479 -0.48844335 -0.52305317 0.13961625 C 22.84359200 22.31910071 25.56861299 -0.27573641 0.00281088 0.68952395 C 24.17509931 20.95774659 23.82332191 0.17199589 -1.27976396 0.42657659 C 25.33508841 22.18694688 25.38083480 0.74547163 0.26290843 0.53870863 C 21.19178619 23.94631129 24.12674316 -0.80789000 -0.01573518 0.12333542 C 22.35603995 25.61865190 25.37234339 -0.08664542 0.50038778 0.45250958 C 23.74466662 24.01192837 23.72163713 -0.33241100 0.81480221 0.20268886 C 25.00776497 25.62032424 25.28652570 0.30411966 0.18459237 0.46222811