16 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=98.3811568368322 stress="-0.005476268274398682 0.00021108245635716223 -0.001545219054965592 0.00021108245635716223 -0.005184243443445097 -0.00031260842370827173 -0.001545219054965592 -0.00031260842370827173 -0.005091944194766233" pbc="F F F" Xe 21.15488783 21.26367877 20.94100341 -29.48882583 -17.72471505 -25.77902397 Xe 22.66431082 22.31425730 22.48844065 -16.46029933 49.23577408 21.40607026 Xe 23.80199893 20.89971974 20.87366136 17.00492395 -21.77612171 -25.16693553 Xe 25.46097674 22.06449003 22.71813893 26.56856670 11.05522755 -13.92387269 Xe 20.76716069 24.19410236 20.83096497 -15.45193311 -5.48217828 -12.03953257 Xe 22.40232233 25.43300593 22.22002482 -10.09852445 36.58827164 26.14982665 Xe 23.77696427 23.91661558 20.96512192 26.80700116 -12.88469158 -34.14831192 Xe 25.60557339 25.67262312 21.97827607 5.57141803 4.80315989 0.35496699 Xe 21.02103145 20.77761356 23.91345317 -10.61347701 -7.72954247 3.99435785 Xe 22.39362841 22.73573857 25.52724172 48.58658765 -46.15292331 58.13508779 Xe 23.77538150 20.70296332 23.84887301 6.35018872 -46.90595156 34.82946196 Xe 25.72083292 22.00809317 25.48735431 5.99475114 -2.50435545 8.77076614 Xe 20.92299150 23.90698366 24.18107110 -61.73465316 41.06773318 -48.29710707 Xe 22.46441403 25.63102478 25.59995250 -1.94708119 9.63003367 6.15022012 Xe 24.26120756 24.01193751 24.25226748 -22.34362857 -28.49772779 -32.62208216 Xe 25.46431997 25.54396501 25.57236142 31.25498530 37.27800720 32.18610815