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=1707.75930628 stress="-206.06594532231907 22.238592139024913 -116.26141550734815 22.238592139024913 0.5935945063818032 128.7744534630017 -116.26141550734815 128.7744534630017 40.261881591517245" pbc="F F F" C -0.11090311 0.13714415 0.07420351 202.32498253 -102.75957990 -392.67079997 C 1.61543713 1.06703166 0.13708343 -605.78221655 205.28915347 -148.03141094 C 1.06120567 -0.10654689 1.38687053 2.41278618 -307.54574321 351.20424623 C -0.02117016 1.22221844 1.22919618 -131.01908070 450.20628814 237.17133400 C 2.87472952 0.24082058 0.21260583 476.30519173 -47.94261380 156.46600546 C 4.54957468 1.31036064 -0.13367187 -299.15030658 206.80782175 165.19914870 C 4.53426717 0.36579486 1.54083270 324.40890502 -912.45850859 -287.21233471 C 3.29405669 1.90529044 1.50197860 -2498.89735710 -3309.60445423 1125.13816127 C 0.32240119 3.08960116 0.00891261 9.55967748 -119.03982345 0.04718113 C 1.76984881 4.19452875 0.31731314 -175.98751908 68.33599556 -9.16837603 C 1.35274046 2.94618724 1.45129871 388.94436423 -256.03123019 -103.03186972 C -0.14238690 4.26191818 1.23139277 -46.37410305 43.36361152 40.50246212 C 2.97397926 3.39709411 0.05856940 -622.45834330 -1022.86750130 125.37811887 C 4.44551856 4.41454779 0.08205282 1124.51594565 781.11240040 7.95439157 C 4.00093708 2.88305721 1.38265556 1934.47909153 4107.53159492 -632.95261551 C 2.77110217 4.04772127 1.53464743 164.77395639 -63.09146663 16.33663986 C 0.03418910 -0.13069618 3.29903784 -4691.93185777 3249.05076799 661.60826805 C 1.46469614 1.05385008 2.69747760 258.33160907 56.27597027 -53.75374432 C 1.19014120 0.06223992 4.10653103 7317.08486457 -1824.69699949 1964.29422944 C -0.09278175 1.16695697 4.49772272 -2640.50620525 -1359.15730156 -2932.05753555 C 3.45327072 0.06483804 3.23128169 -441.09597317 -456.40009853 -1327.14878555 C 4.72410666 1.26989013 2.85740876 -705.62705436 620.44703888 -254.53004864 C 4.45287897 -0.01481582 4.60374366 -168.81097512 734.15729424 848.28445502 C 2.98330747 1.46825206 4.60065268 589.14386268 -273.63125653 509.06227426 C 0.23171545 3.18190327 2.82183498 -5493.44773840 6010.56719538 2043.53228495 C 1.98930781 4.30356493 2.88203743 -53.52205571 -1.41707122 53.79936138 C 1.28220450 3.28278197 4.56210000 10613.85240998 -4655.03385821 8059.87154619 C 0.13362859 4.32702941 4.57034430 -5120.78941986 -1413.61351732 -10011.14930831 C 2.77977585 2.77297850 3.05177150 247.47135338 -84.10989066 -8.54347531 C 4.40090875 4.35940976 2.95047441 54.36294445 -102.40021570 -427.84210684 C 4.49858729 3.24003076 4.14161470 22.46221562 -241.58894348 169.41046862 C 2.99253851 4.00713482 4.47119209 -35.03395447 20.24494148 52.83183428