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=4.326006134147404 stress="-0.00011329103470782109 2.7129307273770733e-06 -2.3318282885921065e-07 2.7129307273770733e-06 -0.0001032484455028327 -7.863492016705082e-07 -2.3318282885921065e-07 -7.863492016705082e-07 -0.00010951475404884921" free_energy=4.326006134147404 pbc="F F F" H 20.85540510 21.11115480 21.11044915 -0.14806733 -0.16575588 -0.15073587 H 22.42864556 22.31226052 20.83833517 0.07631574 0.02510381 -0.19069166 H 22.28829595 20.83509776 22.88665513 0.11765652 -0.27357092 -0.09128995 H 20.77812781 22.51878885 22.47136854 -0.29875198 0.11825109 -0.04135336 H 23.73178299 20.95894820 21.20259391 0.01288569 -0.18508802 -0.14044504 H 25.56504129 22.31908803 20.86550211 0.13840783 0.00465370 -0.19688214 H 25.28802619 21.22277084 22.68584377 0.10602253 -0.39442066 -0.23744084 H 24.18362810 22.69581920 22.85632133 -0.06454956 -0.10123533 -0.04318372 H 21.26959405 24.17626233 20.85402479 -0.19715266 -0.06004555 -0.27355334 H 22.56509191 25.49207130 21.15300231 0.00340014 0.31471515 -0.28552366 H 22.53848316 23.95774659 22.47132871 -0.08446423 -0.14758203 -0.01006769 H 20.95789336 25.38825682 22.18375486 -0.27718180 0.22483930 0.05398245 H 24.03834109 24.17895518 21.29140871 0.00575355 -0.12988864 -0.40120175 H 25.61455359 25.53253581 21.14904689 0.16964923 0.19335449 -0.14013987 H 25.28091226 24.10609294 22.33845233 0.36046478 -0.05966769 -0.01806192 H 23.62828869 25.32157598 22.42410758 0.04569308 0.39364819 0.06975494 H 20.85198705 20.97567541 23.78616347 -0.32428706 -0.21873228 0.03409099 H 22.37603515 22.27846858 23.74656848 0.07064387 0.09561582 0.08687715 H 22.34126820 20.84140700 25.31668137 -0.01475888 -0.26123991 0.22075126 H 20.91986395 22.24396547 25.59073906 -0.16008450 0.08144002 0.17097210 H 24.27219963 20.93381326 24.28621702 -0.05711474 -0.29954503 -0.00035900 H 25.75978669 22.22592512 23.78504734 0.38916336 0.25537721 0.19821755 H 25.68365717 21.20288723 25.58343331 0.20632111 -0.10019177 0.19228669 H 23.85573943 22.15055199 25.72094491 -0.04359270 0.15955048 0.20423744 H 21.23171545 24.18190327 23.98614580 -0.28813748 -0.07635878 -0.01648191 H 22.52644983 25.42485375 24.12990665 -0.00605675 0.37297249 -0.07227917 H 22.28220450 24.28278197 25.56210000 0.26552026 -0.42168034 0.27092933 H 21.13362859 25.32702941 25.57034430 -0.47086040 0.39980194 0.20573825 H 24.03696538 24.05473499 23.91561068 -0.01384733 -0.11635782 0.14240920 H 25.63661615 25.40480033 23.90997218 0.20239910 0.25516719 -0.00418510 H 25.29869006 24.11041876 25.26735611 0.20377836 -0.10597275 0.20573160 H 23.83533445 25.24148635 25.58611608 0.07483228 0.22284252 0.25789705