32 Lattice="86.3061408996582 0.0 0.0 0.0 86.3061408996582 0.0 0.0 0.0 86.3061408996582" Properties=species:S:1:pos:R:3:forces:R:3 energy=-2.17483873275527 stress="-4.141550155386749e-06 4.6748558035624286e-07 -8.018979421093436e-07 4.6748558035624286e-07 -4.665400728771242e-06 -1.0812460824518931e-06 -8.018979421093436e-07 -1.0812460824518931e-06 -4.993088773408552e-06" free_energy=-2.17483873275527 pbc="F F F" Xe 43.06065119 43.24569945 43.24511141 -0.02542811 -0.03474900 -0.05613414 Xe 46.41010071 46.07829471 43.04000755 -0.03923592 0.10039126 -0.00525491 Xe 46.05901258 43.26460880 46.16320252 0.06261825 -0.05695596 0.02996475 Xe 43.01680642 46.25109000 46.09238639 -0.00897882 0.05339471 0.03660789 Xe 49.21512318 43.11886061 43.11061235 0.03776541 -0.04913094 0.01110013 Xe 52.43930331 45.99264882 43.20824057 0.00746904 0.05484021 -0.03204235 Xe 52.22351214 43.33871281 46.39030243 0.06090724 -0.21383029 -0.17233075 Xe 49.47081822 46.39861529 46.35780770 -0.12692441 -0.06305608 -0.03624105 Xe 43.13059015 49.46468008 43.03142444 0.00706207 -0.05112420 -0.03479589 Xe 46.41040213 52.39354972 43.28057238 -0.05367321 0.03579772 -0.08352302 Xe 46.18487831 49.28258362 46.16753394 0.03360576 -0.06033351 -0.01325354 Xe 43.11626114 52.30703766 46.04411265 -0.01028299 0.06667584 0.03134007 Xe 49.47761662 49.46692412 43.39591104 -0.09458443 -0.11281085 -0.20135338 Xe 52.50396157 52.42727015 43.26438736 0.01331904 0.03521247 -0.01089614 Xe 52.21758386 49.40620558 46.20713260 0.19839934 -0.07266504 0.04593221 Xe 49.15611167 52.25147029 46.24677928 0.04742207 0.14358784 0.08073240 Xe 43.02972633 43.21755096 49.37054419 -0.04081337 -0.05415903 -0.07447063 Xe 46.18331131 46.05082311 49.21150141 0.01972790 0.09082665 0.01444003 Xe 46.10315612 43.02090961 52.24739145 0.02695606 -0.04607563 0.02587410 Xe 43.08697875 46.02207051 52.35493030 -0.00378397 0.08406149 0.03649670 Xe 49.54462782 43.18993866 49.42723579 -0.12851529 -0.04937947 -0.00921565 Xe 52.61664588 46.00703690 49.13866758 0.05285527 0.22137517 0.14804869 Xe 52.43247837 43.36614909 52.39746709 0.03334944 -0.01855018 0.05592468 Xe 49.01980225 46.08585504 52.43620143 0.02341185 0.07410728 0.01420538 Xe 43.34616666 49.46938086 49.09473361 -0.06914249 -0.08634323 0.04210388 Xe 46.41225973 52.33753510 49.42605035 -0.03475016 0.08053667 -0.09188564 Xe 46.05393638 49.55344644 52.45190698 0.09354946 -0.23505702 0.03972947 Xe 43.26442761 52.25601482 52.22783072 -0.14718856 0.14351916 0.03228705 Xe 49.35823208 49.36340729 49.24747037 -0.06526317 -0.07380924 0.04355823 Xe 52.46282104 52.32082392 49.00883584 0.01389905 0.07393938 0.05693206 Xe 52.23239869 49.40981044 52.20628706 0.06406299 -0.06382097 0.03169983 Xe 49.18057351 52.18472894 52.47192038 0.05218466 0.08358480 0.04441953