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=-0.37278955353233706 stress="1.8553738386894207e-05 1.4262978885033398e-06 -1.016748291800979e-06 1.4262978885033398e-06 1.926403421094283e-05 8.952898871212367e-07 -1.016748291800979e-06 8.952898871212367e-07 1.924125606152347e-05" free_energy=-0.37278955353233706 pbc="F F F" H 20.83859276 20.80999788 21.29563403 0.03085551 0.00377262 0.02163857 H 22.75992344 22.70887594 21.01104098 0.05833312 0.00938752 0.05276243 H 22.36341216 20.99643328 22.36497025 -0.03664359 0.00718878 -0.00216432 H 20.82869027 22.69641704 22.50311282 0.03711077 0.06389337 0.03117629 H 24.20270954 21.26179205 20.94010751 0.06878129 0.10489593 0.05782306 H 25.32047613 22.40132599 21.22387117 -0.14948606 -0.03595198 0.06896110 H 25.38133249 21.07398712 22.53667888 -0.04109349 0.05897554 -0.01862089 H 24.03017088 22.65861729 22.29434620 0.06309154 0.03544964 -0.08018048 H 21.02060653 24.19476289 21.01780569 0.02873958 0.01182156 0.03258471 H 22.50957274 25.53254232 20.88034387 -0.01597259 -0.01387151 0.02236195 H 22.39786097 23.92572050 22.55928898 -0.03058132 -0.09360471 0.06761006 H 21.19234241 25.71840085 22.53745703 0.02737346 -0.04021652 0.00945529 H 24.41175559 23.98003189 21.09243873 0.03122609 -0.04238615 0.06956501 H 25.71692366 25.37480518 20.77484665 -0.03258860 -0.01982468 0.01676713 H 25.34345397 23.74019943 22.76123395 -0.07534415 -0.07665668 0.01080969 H 24.20810778 25.57889793 22.21208618 0.01761339 -0.02351459 -0.01405739 H 21.19438535 21.04432230 24.18435189 0.00918363 0.02901146 0.01894394 H 22.63183245 22.72843610 23.64826226 0.01008173 0.08249359 -0.07794822 H 22.75368583 21.04486615 25.72442487 0.00998455 0.01104479 -0.02266292 H 20.83123887 22.52431090 25.27975890 0.01926238 -0.01188175 -0.02953434 H 24.03486778 21.28730700 24.04745765 0.03159516 0.06473877 0.01376149 H 25.33889013 22.52202644 23.98574328 -0.07969298 0.02354638 -0.02125028 H 25.59686446 21.02443104 25.71281909 -0.01437499 0.01692363 -0.00257351 H 24.29893841 22.55247515 25.48045534 0.03323914 0.00110812 -0.06841917 H 20.96596778 24.02906835 23.70014041 0.05499427 -0.01817649 -0.04676512 H 22.26684836 25.57261488 24.20938169 -0.07272344 -0.03378110 0.02555762 H 22.53278630 23.82465815 25.49246763 0.01548484 -0.00916654 -0.03900413 H 20.89100628 25.51103839 25.20294674 0.06114236 -0.00871072 -0.05531869 H 23.89469022 24.16683577 24.08416775 0.02761284 0.01111162 0.04750032 H 25.23437641 25.62717527 23.90326983 -0.07909585 -0.04871636 0.05567200 H 25.30933961 24.12974955 25.29361759 -0.08456211 0.01616051 -0.04933438 H 24.23779642 25.53126279 25.23799885 0.07645356 -0.07506403 -0.09511684