32 Lattice="99.69129371643066 0.0 0.0 0.0 99.69129371643066 0.0 0.0 0.0 99.69129371643066" Properties=species:S:1:pos:R:3:forces:R:3 energy=-1.4246882322194283 stress="-2.2141748525976025e-05 -5.713790570273545e-08 -6.60205948974283e-08 -5.713790570273545e-08 -2.1788136936773277e-05 -2.659466397442586e-07 -6.60205948974283e-08 -2.659466397442586e-07 -2.2483122545286877e-05" free_energy=-1.4246882322194283 pbc="F F F" Rb 49.72515110 49.93827585 49.93768782 -0.16525721 -0.17497321 -0.18998491 Rb 53.60879478 53.24891229 49.71092616 -0.02484636 0.11776035 -0.29968283 Rb 53.22963016 49.70822833 53.54471980 0.06030021 -0.30277465 0.03577379 Rb 49.66075337 53.42170758 53.26300397 -0.31433606 0.05543115 0.06303692 Rb 56.63319568 49.81143702 50.01447511 0.06235667 -0.31055282 -0.23311851 Rb 60.58105797 53.16326640 49.73356529 0.22556593 0.05893891 -0.25132781 Rb 60.35021206 50.03128922 53.56092001 0.29998395 -0.36617367 -0.11456463 Rb 57.11947697 53.53902818 53.44995481 -0.18676819 0.00485466 0.03235911 Rb 50.07030857 57.11333883 49.72400085 -0.27967341 -0.11660993 -0.33757829 Rb 53.37735068 60.52024965 49.97314878 0.06640923 0.32183641 -0.33829523 Rb 53.18960678 56.93124238 53.33815152 0.11567744 -0.17549057 0.07120576 Rb 49.81055799 60.43373758 53.21473023 -0.31679185 0.31835716 0.08282298 Rb 57.12627537 57.11558287 50.08848745 -0.04935527 -0.10408948 -0.42409908 Rb 60.62231822 60.55397008 49.96985260 0.16846903 0.17600851 -0.14113812 Rb 60.34428378 57.05486433 53.62670707 0.43770708 -0.07008289 -0.06310571 Rb 56.61552852 60.37817022 53.41739686 0.04772076 0.43524256 0.07785188 Rb 49.72230274 49.82537637 57.01920294 -0.30650895 -0.24571048 -0.06203428 Rb 53.35392889 53.22144069 56.96188212 0.07661239 0.13486442 -0.06652575 Rb 53.27377370 49.71348602 60.37409137 0.07564099 -0.30173958 0.25840456 Rb 49.77886681 53.19268809 60.60247278 -0.24006103 0.11090721 0.23776580 Rb 57.19328657 49.79049124 56.97664610 -0.12934577 -0.32873465 0.03525349 Rb 60.74334581 53.17765448 56.78732633 0.33955170 0.15679385 0.11362487 Rb 60.67990454 50.01471955 60.59638466 0.14497302 -0.13248068 0.19010376 Rb 56.68080407 53.36279566 60.71097766 0.02373379 0.05626627 0.28149160 Rb 50.03874307 57.11803961 56.86661215 -0.40056329 -0.14448586 0.00460373 Rb 53.37159096 60.46423502 57.07470910 0.04987802 0.42193199 -0.09483585 Rb 53.22455396 57.20210520 60.57860690 0.07398258 -0.22830066 0.34462140 Rb 49.95700402 60.38271474 60.58547715 -0.26956688 0.23836004 0.20007252 Rb 57.00689083 57.01206604 56.89612912 -0.14453732 -0.14769704 0.03795445 Rb 60.64070369 60.44752384 56.84906135 0.23648575 0.34236759 0.00439832 Rb 60.35909862 57.05846919 60.33298699 0.28707183 -0.11400754 0.27920905 Rb 56.82923226 60.31142886 60.59862030 0.03549123 0.31398263 0.26573703