32 Lattice="6.0 0.0 0.0 0.0 6.0 0.0 0.0 0.0 6.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=-0.3727895535323368 stress="1.3746093696082191 0.10567155796343648 -0.07532884744294965 0.10567155796343648 1.4272337666203319 0.06633023715703767 -0.07532884744294965 0.06633023715703767 1.425546179086151" pbc="F F F" H -0.16140724 -0.19000212 0.29563403 0.03085551 0.00377262 0.02163857 H 1.75992344 1.70887594 0.01104098 0.05833312 0.00938752 0.05276243 H 1.36341216 -0.00356672 1.36497025 -0.03664359 0.00718878 -0.00216432 H -0.17130973 1.69641704 1.50311282 0.03711077 0.06389337 0.03117629 H 3.20270954 0.26179205 -0.05989249 0.06878129 0.10489593 0.05782306 H 4.32047613 1.40132599 0.22387117 -0.14948606 -0.03595198 0.06896110 H 4.38133249 0.07398712 1.53667888 -0.04109349 0.05897554 -0.01862089 H 3.03017088 1.65861729 1.29434620 0.06309154 0.03544964 -0.08018048 H 0.02060653 3.19476289 0.01780569 0.02873958 0.01182156 0.03258471 H 1.50957274 4.53254232 -0.11965613 -0.01597259 -0.01387151 0.02236195 H 1.39786097 2.92572050 1.55928898 -0.03058132 -0.09360471 0.06761006 H 0.19234241 4.71840085 1.53745703 0.02737346 -0.04021652 0.00945529 H 3.41175559 2.98003189 0.09243873 0.03122609 -0.04238615 0.06956501 H 4.71692366 4.37480518 -0.22515335 -0.03258860 -0.01982468 0.01676713 H 4.34345397 2.74019943 1.76123395 -0.07534415 -0.07665668 0.01080969 H 3.20810778 4.57889793 1.21208618 0.01761339 -0.02351459 -0.01405739 H 0.19438535 0.04432230 3.18435189 0.00918363 0.02901146 0.01894394 H 1.63183245 1.72843610 2.64826226 0.01008173 0.08249359 -0.07794822 H 1.75368583 0.04486615 4.72442487 0.00998455 0.01104479 -0.02266292 H -0.16876113 1.52431090 4.27975890 0.01926238 -0.01188175 -0.02953434 H 3.03486778 0.28730700 3.04745765 0.03159516 0.06473877 0.01376149 H 4.33889013 1.52202644 2.98574328 -0.07969298 0.02354638 -0.02125028 H 4.59686446 0.02443104 4.71281909 -0.01437499 0.01692363 -0.00257351 H 3.29893841 1.55247515 4.48045534 0.03323914 0.00110812 -0.06841917 H -0.03403222 3.02906835 2.70014041 0.05499427 -0.01817649 -0.04676512 H 1.26684836 4.57261488 3.20938169 -0.07272344 -0.03378110 0.02555762 H 1.53278630 2.82465815 4.49246763 0.01548484 -0.00916654 -0.03900413 H -0.10899372 4.51103839 4.20294674 0.06114236 -0.00871072 -0.05531869 H 2.89469022 3.16683577 3.08416775 0.02761284 0.01111162 0.04750032 H 4.23437641 4.62717527 2.90326983 -0.07909585 -0.04871636 0.05567200 H 4.30933961 3.12974955 4.29361759 -0.08456211 0.01616051 -0.04933438 H 3.23779642 4.53126279 4.23799885 0.07645356 -0.07506403 -0.09511684