32 Lattice="99.06169319152832 0.0 0.0 0.0 99.06169319152832 0.0 0.0 0.0 99.06169319152832" Properties=species:S:1:pos:R:3:forces:R:3 energy=-1.0140660458184152 stress="-2.3516075961845002e-05 -6.085026970519735e-08 -6.881451759335451e-08 -6.085026970519735e-08 -2.3136998905420792e-05 -2.762798717639478e-07 -6.881451759335451e-08 -2.762798717639478e-07 -2.3875867218170245e-05" free_energy=-1.0140660458184152 pbc="F F F" Rb 49.41035084 49.62347559 49.62288755 -0.17342099 -0.18306247 -0.19868875 Rb 53.27150879 52.91162630 49.39612590 -0.02664841 0.11959841 -0.31453505 Rb 52.89234417 49.39342806 53.20743381 0.06045775 -0.31746284 0.03549203 Rb 49.34595311 53.08442159 52.92571797 -0.32948487 0.05571894 0.06336736 Rb 56.27342395 49.49663676 49.69967485 0.06519627 -0.32414512 -0.24413255 Rb 60.19880051 52.82598041 49.41876502 0.23646652 0.05922257 -0.26332045 Rb 59.96795460 49.71648896 53.22363402 0.31291303 -0.38128495 -0.11935413 Rb 56.75970524 53.20174218 53.11266881 -0.19018795 0.00316688 0.03130015 Rb 49.75550830 56.75356710 49.40920058 -0.29185994 -0.11888519 -0.35229327 Rb 53.04006468 60.13799218 49.65834852 0.06733797 0.33586537 -0.35267793 Rb 52.85232078 56.57147065 53.00086552 0.11653229 -0.17932254 0.07123487 Rb 49.49575773 60.05148012 52.87744424 -0.33093218 0.33202726 0.08399863 Rb 56.76650365 56.75581114 49.77368719 -0.04879067 -0.10551766 -0.44231830 Rb 60.24006076 60.17171262 49.65505234 0.17667476 0.18426579 -0.14848505 Rb 59.96202632 56.69509261 53.28942107 0.45613076 -0.07043574 -0.06638585 Rb 56.25575679 59.99591275 53.08011086 0.05032487 0.45394101 0.07855966 Rb 49.40750247 49.51057611 56.65943121 -0.31986881 -0.25689297 -0.06265440 Rb 53.01664289 52.88415469 56.60211039 0.07697690 0.13657200 -0.06652457 Rb 52.93648771 49.39868576 59.99183391 0.07687437 -0.31496500 0.27005934 Rb 49.46406655 52.85540210 60.22021532 -0.25140375 0.11297418 0.24900032 Rb 56.83351484 49.47569098 56.61687438 -0.13154179 -0.34410783 0.03803199 Rb 60.36108835 52.84036848 56.42755461 0.35562954 0.15968512 0.11835649 Rb 60.29764708 49.69991929 60.21412720 0.15227173 -0.13907896 0.19904738 Rb 56.32103234 53.02550966 60.32872020 0.02558996 0.05632061 0.29581863 Rb 49.72394281 56.75826788 56.50684042 -0.41792536 -0.14724801 0.00617881 Rb 53.03430496 60.08197756 56.71493737 0.04991989 0.44025341 -0.09592347 Rb 52.88726796 56.84233347 60.19634944 0.07446228 -0.23361286 0.36044251 Rb 49.64220375 60.00045728 60.20321969 -0.28098355 0.24844800 0.20919076 Rb 56.64711910 56.65229432 56.53635739 -0.14664524 -0.15019310 0.04125749 Rb 60.25844623 60.06526638 56.48928962 0.24806997 0.35685551 0.00585342 Rb 59.97684115 56.69869746 59.95072953 0.29979970 -0.11604866 0.29191454 Rb 56.46946053 59.92917140 60.21636284 0.03806494 0.32734885 0.27818936