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=432.9727906669036 stress="-0.013113538412919401 0.00023724873931975973 -0.0007852949247185535 0.00023724873931975973 -0.012989321786224781 -0.0012122148406718196 -0.0007852949247185535 -0.0012122148406718196 -0.01286781214036494" free_energy=432.9727906669036 pbc="F F F" Rb 20.85540510 21.11115480 21.11044915 -9.11043361 -38.86449354 -29.56275319 Rb 22.70960170 22.31143450 20.83833517 -10.06635945 12.63950183 -20.04963934 Rb 22.32198775 20.83509776 22.66640352 1.27230983 -24.82166167 -6.31797612 Rb 20.77812781 22.51878885 22.05164101 -18.28538268 26.54171312 23.15596462 Rb 23.87679405 20.95894820 21.20259391 8.33628205 -30.51359956 -11.05337008 Rb 25.56504129 22.17241380 20.86550211 14.26982868 2.73541086 -18.28069950 Rb 25.28802619 21.22277084 22.68584377 16.43219915 -68.05769871 -59.77486425 Rb 24.18362810 22.69581920 22.64685009 -59.13913673 -50.96978749 -2.30668581 Rb 21.26959405 24.17626233 20.85402479 -15.22330548 -25.02324251 -47.75326421 Rb 22.70996341 25.49207130 21.15300231 -6.95134810 37.66821625 -43.49209335 Rb 22.53848316 23.95774659 22.32435701 -14.26169367 -23.85223688 9.11347595 Rb 20.95789336 25.38825682 22.02601319 -29.39326009 37.61382886 25.19528321 Rb 24.19178619 24.17895518 21.29140871 -11.78885867 -17.07102520 -81.99883719 Rb 25.61455359 25.53253581 21.14904689 16.80394522 16.81993638 -9.86394178 Rb 25.28091226 23.80787766 22.46603997 99.27861434 29.42545012 10.28278981 Rb 23.80598025 25.32157598 22.51361598 20.11888648 58.45941254 28.08360139 Rb 20.85198705 20.97567541 24.36204753 -43.30214019 -32.84790395 -29.43917079 Rb 22.21036414 22.27846858 23.87541615 9.51030370 20.56369494 1.73198359 Rb 22.34126820 20.84140700 25.31668137 23.07803268 -26.93801045 25.91603985 Rb 20.91986395 22.24396547 25.59073906 -15.08747063 27.39169208 32.01825656 Rb 24.27219963 20.93381326 24.13132919 -22.91372419 -26.26685525 13.20988788 Rb 25.75978669 22.22592512 23.78504734 48.83012969 45.67414663 54.62857616 Rb 25.68365717 21.06425382 25.58343331 15.15687045 -8.40563702 15.65352902 Rb 23.85420938 22.19455091 25.72094491 0.29212091 10.74389121 16.45478870 Rb 21.23171545 24.18190327 23.80376929 -30.61193851 -6.58745716 -1.05062701 Rb 22.71219253 25.42485375 24.12990665 -13.53103382 42.39543929 -16.48653956 Rb 22.28220450 24.28278197 25.56210000 32.97650356 -70.83827773 28.66987973 Rb 21.13362859 25.32702941 25.57034430 -64.38223966 56.98927825 14.04739494 Rb 24.04852473 24.05473499 23.91561068 -12.81961598 -13.72921357 19.08734711 Rb 25.63661615 25.40480033 23.79721369 18.56724799 23.41121889 -1.32529725 Rb 25.29869006 24.11041876 25.26735611 33.25702885 -15.37167651 27.68183452 Rb 23.83533445 25.24148635 25.58611608 18.68763787 31.08594597 33.82512641