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=-47.74678939137307 stress="-0.002497545574961401 0.0002867381338470988 0.00021830272548227977 0.0002867381338470988 -0.0019874079485948477 0.00015186834639954866 0.00021830272548227977 0.00015186834639954866 -0.0017984690996253447" free_energy=-47.74678939137307 pbc="F F F" B 20.85540510 21.14484659 21.13643851 3.47177313 -1.62768237 -0.00781367 B 22.70960170 22.03473100 20.83833517 -9.78797187 11.61144283 -13.95325614 B 22.28829595 20.83509776 22.60416852 0.10860115 0.14602846 11.51624860 B 20.77812781 22.42462428 22.32834452 -9.47116148 1.52511336 -3.84729820 B 23.63239121 21.25769646 21.20259391 11.97339115 -12.66275298 4.86612763 B 25.33795100 22.20865944 20.92385746 1.23753134 -6.38186753 -3.18650474 B 25.03448256 21.22277084 22.68584377 3.77237200 -7.48779682 -11.87700832 B 24.18362810 22.69581920 22.62878440 -4.87847069 -6.27642244 0.01001023 B 21.26959405 24.17626233 21.05472682 -6.26088382 -4.05008590 -4.70556778 B 22.70996341 25.49207130 21.15300231 8.05162073 3.85280720 6.30722653 B 22.53848316 23.95774659 22.12195116 -4.47600552 -6.27874515 -3.43603811 B 20.95789336 25.28910848 22.27041603 -6.04625589 0.95256916 3.07132729 B 24.19178619 24.17895518 21.29140871 -2.13221860 2.84883189 -9.70392552 B 25.61248906 25.53253581 21.43091928 4.98309938 -2.51691197 -0.49297067 B 25.28091226 24.10609294 22.46603997 29.34234844 19.45682131 2.26980287 B 23.80598025 25.32157598 22.51361598 -13.89880576 20.25294973 -17.92113792 B 20.86199897 20.96020881 24.06329927 0.88452348 -0.54218240 -1.36062362 B 22.53915563 22.27846858 23.87244793 -0.18251813 -10.58914366 -5.80980092 B 22.34126820 20.84223301 25.56292234 -0.93007000 -0.56988781 2.57551452 B 20.91986395 22.38698948 25.59073906 -3.15292409 -1.48724415 2.68941434 B 24.27219963 20.93381326 23.98631813 -3.77347592 -6.69484828 4.72567336 B 25.75978669 22.22592512 23.78504734 8.39435678 -2.47570353 6.51291812 B 25.53878567 21.25569436 25.49677214 -1.68116384 2.20728147 1.19921988 B 23.64240894 22.32050690 25.72094491 3.62350824 -2.87021885 3.62082601 B 21.23171545 24.18190327 23.82183498 -8.94374866 9.41890867 1.74743049 B 22.53450097 25.42485375 24.12990665 -7.19841051 7.76579091 10.99569138 B 22.19269610 24.28278197 25.56210000 -0.66355197 -2.98366587 4.60692055 B 21.13362859 25.32702941 25.29320850 -4.59027030 1.33684820 -4.15746940 B 23.98710546 24.05473499 23.91561068 -0.45084945 -5.49009609 8.13839440 B 25.63661615 25.15685454 23.87719504 5.81552832 -3.99266699 -8.48477304 B 25.45357789 24.17030417 25.26735611 -0.75205661 -0.10329756 6.10602850 B 23.53779190 25.24148635 25.58611608 7.61215898 3.70582715 7.98541330