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=544.581201265 stress="-11.833792829561322 0.0629718049545764 -0.9094088563568488 0.0629718049545764 -11.42176622970627 -0.34163915127739897 -0.9094088563568488 -0.34163915127739897 -11.781859903813826" pbc="F F F" Cd -0.14459490 0.11115480 0.11044915 -14.12015411 -46.73576669 -37.47370488 Cd 1.70960170 1.31143450 -0.16166483 -15.72440274 12.04790062 -37.28821209 Cd 1.32198775 -0.16490224 1.66640352 11.94964605 -30.05019662 -10.71482635 Cd -0.22187219 1.51878885 1.05164101 -27.25914198 31.10407398 29.88310213 Cd 2.84054841 -0.04105180 0.20259391 10.59669947 -48.45772692 -20.27771447 Cd 4.56504129 1.11449487 -0.13449789 25.43121400 3.80412652 -32.28766566 Cd 4.28802619 0.22277084 1.68584377 27.59958124 -80.00245681 -58.18897229 Cd 3.18362810 1.69581920 1.40244725 -55.87111572 -53.13342031 10.51009333 Cd 0.26959405 3.17626233 -0.14597521 -42.75591268 0.30122161 -49.52651277 Cd 1.70996341 4.49207130 0.15300231 -19.30879354 64.09650897 -57.75064267 Cd 1.53848316 2.95774659 1.12030630 -25.48054216 -39.93413613 40.96416118 Cd -0.04210664 4.38825682 1.56916429 -27.42173868 32.79428225 -7.59558469 Cd 3.19178619 3.17895518 0.29140871 -1.57933924 -13.01630002 -117.43980098 Cd 4.61455359 4.53253581 0.14904689 25.72012664 26.39308934 -18.89002809 Cd 4.28091226 2.87900266 1.46603997 114.90837339 10.66314782 15.94457839 Cd 2.80598025 4.32157598 1.51361598 15.81435775 82.13457468 32.17909188 Cd -0.14801295 -0.02432459 2.94420113 -50.12186878 -25.87773038 -4.78512322 Cd 1.29882101 1.27846858 3.05286963 18.53265766 34.74962895 -16.09282047 Cd 1.34126820 -0.15859300 4.31668137 10.17360281 -44.68222836 32.98696145 Cd -0.08013605 1.24396547 4.59073906 -27.80503728 14.10062826 29.21248290 Cd 3.27219963 -0.06618674 3.13132919 -30.55051761 -33.82299992 17.73786191 Cd 4.75978669 1.22592512 2.78504734 57.50601985 50.51938981 58.05856857 Cd 4.68365717 -0.05065640 4.58343331 16.57542633 -8.68388838 22.08952604 Cd 2.77778834 1.36811319 4.72094491 8.05048105 6.34798737 23.98116617 Cd 0.23171545 3.18190327 3.02253701 -43.19470111 -33.21392799 -19.91291031 Cd 1.71219253 4.42485375 3.12990665 -11.90056591 61.56584843 -23.88337324 Cd 1.28220450 3.28278197 4.56210000 35.85454268 -77.45562332 54.88345502 Cd 0.13362859 4.32702941 4.57034430 -74.02757870 69.79600174 29.80910266 Cd 3.04852473 3.05473499 2.91561068 -18.50541156 -33.10083252 18.93209727 Cd 4.63661615 4.40480033 2.58062463 32.34187868 38.28031895 14.63066550 Cd 4.29869006 3.11041876 4.26735611 48.04759113 -14.47401341 32.88114449 Cd 2.83533445 4.24148635 4.58611608 26.52462307 43.94251849 47.42383326