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=388.0038339146011 stress="-0.02456762384723756 0.002620738736393579 -0.0016951471343663186 0.002620738736393579 -0.024426284084487732 0.004398066526844509 -0.0016951471343663186 0.004398066526844509 -0.01851985517006055" pbc="F F F" Rn 21.00472863 20.96071427 20.92130213 -5.18141219 -5.28916870 -5.10160884 Rn 22.65417930 22.45333530 20.86272702 -7.70364642 -4.69109578 -37.34366607 Rn 22.78001829 21.13955967 22.33585890 -43.99902726 -106.82325746 3.35148109 Rn 21.33344114 22.26654689 22.63373459 -32.62358005 43.28888115 -41.06358613 Rn 24.45794305 21.15613002 20.99709767 -19.99529959 -73.60033851 -49.48590731 Rn 25.27318021 22.77494323 20.96074375 203.71050356 -129.62041137 -11.74930179 Rn 25.23929276 21.03623675 22.76247679 73.09788907 -55.40876409 -23.03221666 Rn 24.01928755 22.35776198 22.37735284 17.52858362 104.68853510 32.82994871 Rn 21.17319551 24.03559682 21.31590099 -276.38948577 -51.05026650 -157.05971252 Rn 22.37882573 25.44720200 21.24496408 3.61455925 207.18252546 -117.85178928 Rn 22.60615545 24.02360603 22.04321337 261.24077043 -164.87344058 234.65573180 Rn 21.01823545 25.29663219 22.67437624 -34.91584385 143.06169668 -83.70777949 Rn 24.19108575 23.98230997 20.86840779 -158.00862238 166.31796064 -34.20925176 Rn 25.23606942 25.58971727 21.12626442 23.39305561 20.72066017 -10.95129932 Rn 25.36810530 23.84853584 22.75617070 57.69570516 41.43064214 -156.69578993 Rn 23.93466219 25.60695887 22.63218866 11.22200858 43.10313792 -84.94011339 Rn 20.88776002 21.28536246 24.10355441 -20.79708338 -37.52434733 31.84486489 Rn 22.61997506 22.77158744 24.05219457 -46.57346819 -30.49484078 -33.78845414 Rn 22.56678313 20.99741187 25.42315693 -10.39889495 -6.87758373 19.40241879 Rn 21.16215085 22.72891285 25.52301096 -14.06016179 -0.31416174 19.00782097 Rn 23.99655396 20.94223515 24.09130474 -50.56259426 -14.69423371 1.00594992 Rn 25.56660109 22.57329778 23.85227107 36.79921108 -82.67956819 101.61738798 Rn 25.38240151 20.94480133 25.31980508 33.31140875 -4.86840877 31.68544903 Rn 24.01157567 22.76507080 25.22183064 41.05110490 -13.67799277 57.67202663 Rn 20.90652165 24.08305101 23.82602372 -26.19253336 -125.57314381 91.64185126 Rn 22.57992676 25.47958244 23.73802215 -41.88886374 23.17246353 51.87579858 Rn 22.56232978 24.22119109 25.37933934 57.47311323 -54.45583170 35.56438204 Rn 21.28876210 25.39177300 25.21025440 -81.90426696 81.71691253 21.76863843 Rn 23.94080088 24.07432316 23.76344430 -32.56699209 8.06372476 44.08756897 Rn 25.48819467 25.45396657 23.52610279 66.11182671 65.77559290 57.16424297 Rn 25.54617040 24.37184449 25.41738963 34.16449833 -22.04566396 4.15481742 Rn 24.06628077 25.50448743 25.53476534 -16.65246206 36.03978649 7.65009714