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=388.0038339146012 stress="-1820.1661155941351 194.1652915019302 -125.59006089093032 194.1652915019302 -1809.6945352515345 325.84395284084803 -125.59006089093032 325.84395284084803 -1372.0990298394445" pbc="F F F" Rn 0.00472863 -0.03928573 -0.07869787 -5.18141219 -5.28916870 -5.10160884 Rn 1.65417930 1.45333530 -0.13727298 -7.70364642 -4.69109578 -37.34366607 Rn 1.78001829 0.13955967 1.33585890 -43.99902726 -106.82325746 3.35148109 Rn 0.33344114 1.26654689 1.63373459 -32.62358005 43.28888115 -41.06358613 Rn 3.45794305 0.15613002 -0.00290233 -19.99529959 -73.60033851 -49.48590731 Rn 4.27318021 1.77494323 -0.03925625 203.71050356 -129.62041137 -11.74930179 Rn 4.23929276 0.03623675 1.76247679 73.09788907 -55.40876409 -23.03221666 Rn 3.01928755 1.35776198 1.37735284 17.52858362 104.68853510 32.82994871 Rn 0.17319551 3.03559682 0.31590099 -276.38948577 -51.05026650 -157.05971252 Rn 1.37882573 4.44720200 0.24496408 3.61455925 207.18252546 -117.85178928 Rn 1.60615545 3.02360603 1.04321337 261.24077043 -164.87344058 234.65573180 Rn 0.01823545 4.29663219 1.67437624 -34.91584385 143.06169668 -83.70777949 Rn 3.19108575 2.98230997 -0.13159221 -158.00862238 166.31796064 -34.20925176 Rn 4.23606942 4.58971727 0.12626442 23.39305561 20.72066017 -10.95129932 Rn 4.36810530 2.84853584 1.75617070 57.69570516 41.43064214 -156.69578993 Rn 2.93466219 4.60695887 1.63218866 11.22200858 43.10313792 -84.94011339 Rn -0.11223998 0.28536246 3.10355441 -20.79708338 -37.52434733 31.84486489 Rn 1.61997506 1.77158744 3.05219457 -46.57346819 -30.49484078 -33.78845414 Rn 1.56678313 -0.00258813 4.42315693 -10.39889495 -6.87758373 19.40241879 Rn 0.16215085 1.72891285 4.52301096 -14.06016179 -0.31416174 19.00782097 Rn 2.99655396 -0.05776485 3.09130474 -50.56259426 -14.69423371 1.00594992 Rn 4.56660109 1.57329778 2.85227107 36.79921108 -82.67956819 101.61738798 Rn 4.38240151 -0.05519867 4.31980508 33.31140875 -4.86840877 31.68544903 Rn 3.01157567 1.76507080 4.22183064 41.05110490 -13.67799277 57.67202663 Rn -0.09347835 3.08305101 2.82602372 -26.19253336 -125.57314381 91.64185126 Rn 1.57992676 4.47958244 2.73802215 -41.88886374 23.17246353 51.87579858 Rn 1.56232978 3.22119109 4.37933934 57.47311323 -54.45583170 35.56438204 Rn 0.28876210 4.39177300 4.21025440 -81.90426696 81.71691253 21.76863843 Rn 2.94080088 3.07432316 2.76344430 -32.56699209 8.06372476 44.08756897 Rn 4.48819467 4.45396657 2.52610279 66.11182671 65.77559290 57.16424297 Rn 4.54617040 3.37184449 4.41738963 34.16449833 -22.04566396 4.15481742 Rn 3.06628077 4.50448743 4.53476534 -16.65246206 36.03978649 7.65009714