32 Lattice="35.64949417114258 0.0 0.0 0.0 35.64949417114258 0.0 0.0 0.0 35.64949417114258" Properties=species:S:1:pos:R:3:forces:R:3 energy=-9.716552313949387 stress="-0.0003694004557667377 -0.00028999076381666623 -1.5707532462270436e-05 -0.00028999076381666623 -0.00034011655211312736 0.0002349477673208736 -1.5707532462270436e-05 0.0002349477673208736 -0.0006615157065568664" free_energy=-9.716552313949387 pbc="F F F" H 17.66996150 17.81511429 17.85206136 -1.03425390 -0.84504710 -1.52688818 H 19.01437642 19.02912919 17.79222770 1.77015524 0.11163762 -4.51418531 H 18.91643753 18.00652953 18.90391055 -1.23232762 -1.12605001 1.93914125 H 17.98649905 18.95708078 18.99961995 -3.54768616 -2.67970256 -2.33690949 H 20.08240721 17.75205102 17.68331901 0.31430790 0.56715245 -0.68616463 H 21.47848601 19.06887824 18.01296843 0.34893196 -1.47354558 0.53333827 H 21.88772921 17.59653483 19.12616348 -0.10507161 0.37911583 -0.33038997 H 20.18581749 19.24977834 19.17656148 3.12030344 -3.56157727 0.58213983 H 17.87834620 20.39384096 17.63756500 0.16411483 0.89729607 -0.30568786 H 18.85041274 21.51839659 18.00877452 -3.25255498 2.34122074 -1.33303223 H 19.04549142 20.36060145 19.03376956 -2.19500138 2.60037490 -0.18190125 H 17.74723347 21.75944853 18.95482098 1.50511461 -0.19099288 -1.31179792 H 20.48032685 20.45443327 18.27208656 0.43680800 3.32888305 -4.50706461 H 21.65428368 21.61557292 17.79501373 0.58493537 0.96748491 -0.00294457 H 21.68097325 20.43144071 19.26777112 3.79819740 -0.30251170 1.78505343 H 20.56992782 21.63315762 18.91652410 -0.27643105 0.52376968 -1.95558616 H 17.84167238 17.98095828 20.38793746 -0.45660182 -2.25034296 3.73494994 H 18.81940627 19.49874047 20.27006551 -4.60091042 1.94092905 7.31552980 H 18.89138562 17.60078969 21.40953868 -2.12603292 1.47843502 -0.43658049 H 17.93821444 18.72839233 21.75240423 0.77809834 -1.85225202 -0.19544362 H 20.55431059 18.07456087 20.52567123 2.21802692 1.49117472 1.11683585 H 21.60651027 19.15900945 20.53772055 -0.70437133 -1.58711420 1.11109754 H 21.75234574 17.72030445 21.77533913 -0.63732138 0.19506505 -0.74197198 H 20.17584658 19.21510037 21.89240620 -1.21679416 0.92866626 -0.37364368 H 17.81036117 20.25502008 20.51355295 3.76406415 -3.07409110 -0.46217897 H 19.07303600 21.39617173 20.13577191 -0.08182228 1.35569574 0.60706292 H 18.85616043 20.28711576 21.85620425 0.46172742 0.12071259 1.10371940 H 17.75242036 21.69121420 21.83627836 0.65459914 -0.87705200 0.08507172 H 20.32921194 20.37255700 20.50206002 0.40691741 1.75393332 1.85353532 H 21.63635953 21.52506240 20.35167630 0.78891530 -0.07881884 0.98473442 H 21.82005345 20.38948364 21.49128865 -0.13151754 -0.29624434 -0.65626977 H 20.43880997 21.63238804 21.48969497 0.48348115 -0.78620445 -0.89356901