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=969.644508485 stress="-24.678532373963133 0.281080872154393 3.264022275266154 0.281080872154393 -20.951951784913515 1.6327709346159804 3.264022275266154 1.6327709346159804 -21.802323497422368" pbc="F F F" U 0.20070203 -0.16695842 -0.09914834 -20.91218051 -22.41092152 -30.65665174 U 1.37219406 1.78187239 0.01001192 140.66849910 -113.55129727 -74.91343789 U 1.48453339 0.10170120 1.53513772 -19.48015117 -60.62299274 -81.54724080 U -0.28095614 1.50082602 1.51188943 -71.41331181 -47.48760257 56.98036762 U 3.14302402 -0.14501107 0.11042859 -101.76108012 -54.77190844 -115.72371771 U 4.70947124 1.24020451 0.05280714 61.09146843 61.11560545 -59.01285417 U 4.41333883 -0.15344509 1.37241235 105.55333651 -59.95438443 119.23059138 U 2.82230844 1.41049160 1.52054874 23.82998519 7.93052638 -124.85232337 U -0.06141927 2.73479111 0.15488783 -161.09457378 84.38809815 -84.07317717 U 1.55988540 4.20245745 0.02496749 -185.71851393 257.14936257 -19.01120560 U 1.31425730 3.15933676 1.53277713 -56.68238933 -75.50847506 -43.90264102 U -0.10028026 4.37366136 1.43108798 -86.01827440 74.98526571 23.83014073 U 2.78219307 3.21813893 -0.23283931 217.09932752 -215.32772753 -81.42628235 U 4.39630554 4.33096497 -0.21881655 43.89015859 36.16266933 -19.75239817 U 4.43300593 2.72002482 1.53931765 65.64327052 165.60995999 -199.88081040 U 2.91661558 4.46512192 1.72586561 250.26207562 130.20493015 -203.35820565 U 0.29391194 -0.27385471 2.86941241 -93.33069117 -64.61000058 62.67343550 U 1.48766710 1.68220204 2.89362841 -169.97766275 -81.59462437 35.35029210 U 1.73573857 0.23935903 4.27538150 -98.55459996 -28.44210571 136.45161130 U -0.00108995 1.50597760 4.71126146 -37.43180437 -28.16699084 48.19716501 U 2.78984966 -0.01264569 2.92299150 148.85579182 -112.05299086 -67.18492478 U 4.40698366 1.68107110 2.82825321 76.50514820 -171.33609127 197.77728880 U 4.48789677 0.07659662 4.57755104 16.93796616 -16.48165843 16.09211043 U 2.93727992 1.73793024 4.46431997 30.25631522 46.02241595 72.11139846 U 0.04396501 2.88679249 3.24755508 -115.97772531 -25.68270896 -67.78856011 U 1.73854596 4.26922180 2.78229695 -184.43501656 118.46845528 241.50131758 U 1.24082565 3.38019334 4.52015752 76.41794867 7.44709252 105.74676011 U -0.12029223 4.77711528 4.37871118 -40.04440303 54.15048807 25.44692872 U 2.75213077 2.73125112 2.71824351 131.92297949 85.37735684 100.63226144 U 4.44339014 4.26429260 3.12968218 53.20868607 73.10468825 -110.85464899 U 4.48153195 3.29977655 4.68543805 56.41278292 -90.37398630 102.89016399 U 3.00793146 4.57327937 4.58426197 -55.72336181 66.25955224 39.02724674