32 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=-100.55432742403758 stress="0.0001452006233807577 3.605601023720743e-05 -7.16720743831444e-05 3.605601023720743e-05 -3.5234212927876985e-05 -9.030213529585059e-05 -7.16720743831444e-05 -9.030213529585059e-05 -0.0004556911786370822" free_energy=-100.55432742403758 pbc="F F F" C 20.85540510 21.11115480 21.11044915 2.77150873 1.76362203 0.71573840 C 22.70960170 22.31143450 20.83833517 -3.39091161 3.12241409 -2.86470007 C 22.28829595 20.83509776 22.64041416 -1.29091575 -1.98107447 0.58135254 C 20.81181961 22.51878885 22.35433388 0.17498562 1.92982134 -0.24275206 C 23.60009055 20.92270256 21.10842934 2.44022923 -0.85285665 2.12010585 C 25.56504129 22.20865944 20.86550211 -1.91134571 -1.64465243 1.64109618 C 25.04362335 21.22277084 22.68584377 -0.40940010 -2.69078479 -4.81033115 C 24.18362810 22.69581920 22.34863482 -0.49037126 -2.66506371 -1.67020464 C 21.26959405 24.17626233 20.85402479 0.33462070 -4.74100432 1.52644612 C 22.70996341 25.26498101 21.15300231 -2.22601548 2.08115507 -2.71807096 C 22.53848316 23.95774659 22.41852158 -4.84722472 -4.24591965 -0.84388374 C 20.95789336 25.38825682 22.15131790 0.67328448 -1.45601357 2.06661361 C 24.19178619 24.17895518 21.29140871 -0.47825868 0.45262564 -17.56267592 C 25.47592018 25.53253581 21.20740224 -0.04822383 -0.13364203 0.13851085 C 25.28091226 24.10609294 22.46603997 9.55572709 0.47929143 1.91147923 C 23.80598025 25.32157598 22.51361598 1.28328061 9.05477165 0.96594527 C 20.85198705 20.97567541 24.06329927 -0.02532546 0.06415609 -0.52388992 C 22.18391079 22.26040289 23.99451428 -0.33387686 1.71993787 1.21031745 C 22.34126820 20.84140700 25.31668137 3.85945868 1.87392272 -1.61839324 C 20.91986395 22.16398412 25.59073906 0.53374759 -1.03248412 -0.65245463 C 24.27219963 20.93381326 24.13132919 -2.53091175 0.60198123 5.87249238 C 25.75978669 22.22592512 23.78504734 0.02444523 1.85661757 2.64162911 C 25.68365717 21.20288723 25.58343331 -3.81079617 2.94672532 -1.65907586 C 23.79585403 22.44809454 25.72094491 2.39674219 2.34464856 -4.04476699 C 21.23171545 24.18190327 24.02253701 -0.49974387 0.34733777 -2.68581588 C 22.71219253 25.42485375 24.12990665 0.26613373 1.85953240 2.37282832 C 22.28220450 24.28278197 25.56210000 6.88363737 -5.05836893 1.67694590 C 21.13362859 25.32702941 25.57034430 -2.72805347 2.32949990 -0.71413871 C 24.04852473 24.05473499 23.61904027 -1.05878380 -4.43510811 14.46445978 C 25.53746781 25.40480033 23.87513051 -0.59302034 -0.43326126 1.13195247 C 25.29869006 24.11041876 25.26735611 -2.57193406 -5.48048182 -0.24361344 C 24.11720683 25.24148635 25.59612800 -1.95268833 2.02265518 1.81685377