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=449.1698305395222 stress="-0.0057642748955125216 -4.2419600622750376e-05 3.9828176100826886e-06 -4.2419600622750376e-05 -0.005565572176317158 2.7133973868870593e-05 3.9828176100826886e-06 2.7133973868870593e-05 -0.005780528339974831" free_energy=449.1698305395222 pbc="F F F" Rb 20.85540510 21.11115480 21.11044915 -7.75830433 -7.13153750 -7.82280170 Rb 22.70960170 22.31143450 20.83833517 -2.38180999 -3.05124342 -13.47461445 Rb 22.28829595 20.83509776 22.64041416 -2.54364629 -12.93760531 -2.77054014 Rb 20.77812781 22.55248065 22.32834452 -13.06391611 -1.50435282 -2.82978186 Rb 23.87679405 20.95894820 21.20259391 2.00894953 -11.45242658 -9.29526210 Rb 25.56504129 22.20865944 20.86550211 9.53357689 -2.90581118 -10.71932896 Rb 25.28802619 21.22277084 22.68584377 9.91134701 -12.00625079 -4.05258840 Rb 24.18362810 22.69581920 22.64685009 2.59195097 -4.94945652 -3.24734099 Rb 21.26959405 24.17626233 20.85402479 -9.09621807 1.74377292 -12.21169132 Rb 22.70996341 25.49207130 21.15300231 -2.52531231 12.17981332 -11.65703234 Rb 22.53848316 23.98373594 22.41852158 -5.58837228 0.74545698 -4.05468241 Rb 20.95789336 25.38825682 22.27041603 -11.56607721 10.42980656 -2.26486609 Rb 24.19178619 24.17895518 21.29140871 3.70727797 1.84518385 -15.55451799 Rb 25.61455359 25.53253581 21.14904689 8.83511162 8.44941087 -7.95473801 Rb 25.28091226 24.10609294 22.46603997 15.19585173 2.50179050 -3.22913908 Rb 23.80598025 25.32157598 22.51361598 2.35576627 15.68255455 -2.09368606 Rb 20.85198705 20.97567541 24.06329927 -11.29974679 -8.96156014 0.87058654 Rb 22.43745442 22.27846858 23.99451428 -3.23170795 -3.71601529 3.39864079 Rb 22.06456469 20.84140700 25.31668137 -0.91624709 -11.04598505 9.49581941 Rb 20.91986395 22.20771983 25.59073906 -9.84490741 -0.58194022 9.92143525 Rb 24.27219963 20.93381326 24.13132919 1.83158618 -13.22470604 4.60762017 Rb 25.75978669 22.22592512 23.78504734 14.69924244 -1.97834185 3.78455977 Rb 25.68365717 21.20288723 25.58343331 7.46977125 -5.95284073 8.50969788 Rb 23.79585403 22.44809454 25.72094491 1.97948615 -3.32072055 13.46810953 Rb 21.23171545 24.18190327 23.82183498 -13.48312998 2.66524600 2.70497642 Rb 22.71219253 25.42485375 24.12990665 -3.30697196 14.82217304 3.14693525 Rb 22.28220450 24.18861741 25.56210000 -3.69049518 0.42188627 12.99067997 Rb 21.13362859 25.32702941 25.57034430 -9.54848776 8.34315525 7.95772965 Rb 24.04852473 24.05473499 23.91561068 3.38826839 1.92863388 5.69056714 Rb 25.63661615 25.40480033 23.87719504 11.70591369 11.00010125 3.12563700 Rb 25.29869006 24.11041876 25.26735611 11.16679279 1.80895095 11.14951540 Rb 23.83533445 25.24148635 25.58611608 3.46445784 10.15285783 12.41010174