32 Lattice="3.0 0.0 0.0 0.0 3.0 0.0 0.0 0.0 3.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=5052.51914062 stress="-499.0968112371719 9.001413531016944 3.594471124770277 9.001413531016944 -380.5543046992808 7.39934176056021 3.594471124770277 7.39934176056021 -446.39926011782933" pbc="F F F" C -0.14459490 0.11115480 0.11044915 -192.44332776 -321.24984751 -191.08581863 C 0.95960170 0.59512630 -0.16166483 -15.70113575 -50.17839104 -456.79140988 C 0.56428531 -0.16490224 0.89041416 -40.61351912 -468.16284674 -213.79632047 C -0.22187219 0.76878885 0.30164101 -460.81771708 23.92302215 74.69576585 C 1.34054841 -0.04105180 0.20259391 125.29134892 -437.93563439 -167.58345647 C 2.31504129 0.36449487 -0.13449789 200.95816694 -78.40906232 -317.68652211 C 2.03802619 0.22277084 0.93584377 272.82865282 -500.62598609 -122.28776362 C 1.43922526 0.94581920 0.89685009 -36.69454617 -377.06048618 -118.08299634 C 0.26959405 1.37804706 -0.14597521 -230.31795992 176.92672106 -495.39884634 C 0.95996341 2.24207130 0.15300231 -240.57373915 569.96384788 -613.75709318 C 0.78848316 1.45774659 0.66852158 -546.31132007 -308.17453739 -209.96566236 C -0.04210664 2.13825682 0.52041603 -546.45867308 361.55861312 -180.05693432 C 1.69178619 1.97770345 0.29140871 358.83971739 264.10339024 -583.04194132 C 2.36455359 2.28253581 0.14904689 449.21816073 376.99147359 -292.23005017 C 2.03091226 1.37900266 0.71603997 675.35880623 -58.15476133 -378.48039123 C 1.18688212 2.07157598 0.62498257 -9.67191365 525.72806731 56.92294573 C -0.14801295 -0.02432459 1.62165461 -616.57674930 -211.39434580 -135.36827710 C 0.68745442 0.27492495 1.47644859 -11.41621022 120.47124751 1.50475655 C 0.51128685 -0.15859300 2.06668137 41.22932995 -456.22134064 407.76311646 C -0.08013605 0.49396547 2.34073906 -218.15036039 206.86787473 305.89407723 C 1.77219963 -0.06618674 1.63132919 41.25087592 -419.06437421 242.72261146 C 2.50978669 0.67662715 0.98847692 738.70977240 -98.91177448 103.22342608 C 2.43365717 0.20288723 2.33343331 264.40092916 -76.50802367 232.59606484 C 1.29585403 0.59894620 2.47094491 123.22853844 -8.70097690 424.17097734 C 0.23171545 1.67983874 1.32183498 -587.05093086 21.30299791 119.57079714 C 0.96219253 2.17485375 1.91177904 -45.46449953 574.07826135 4.91866198 C 0.54221642 1.78278197 2.31210000 -79.82468576 -336.14692701 500.62396954 C 0.13362859 2.07702941 2.32034430 -751.48264218 407.28783591 346.95295189 C 1.53305812 1.55473499 1.41561068 58.18899438 -52.11451193 290.01064568 C 2.38661615 2.15480033 1.37719504 490.59833830 369.39764667 85.62672378 C 2.04869006 1.71211997 2.01735611 547.13023081 12.15457500 570.23454710 C 1.33533445 1.99148635 2.33611608 242.33806759 248.25825321 708.18144489