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=1351.1477074520594 stress="-2891.6201949170863 31.803320371827567 -71.25405243362223 31.803320371827567 -2823.7847314132946 -56.09812707159085 -71.25405243362223 -56.09812707159085 -3030.6742571983687" pbc="F F F" Cd -0.14459490 0.11115480 0.11044915 -35.02012799 -36.20734859 -38.97199241 Cd 1.70960170 1.31143450 -0.16166483 -26.31569033 -36.71288672 -100.28643670 Cd 1.28829595 -0.16490224 1.64041416 -16.69480658 -88.59559194 -24.85121039 Cd -0.22187219 1.55248065 1.32834452 -86.73752069 -12.56227120 -14.00509957 Cd 2.90278341 -0.04105180 0.20259391 12.06876897 -79.27813735 -62.25327257 Cd 4.56504129 1.20865944 -0.13449789 49.45031005 -15.18932611 -61.45585519 Cd 4.28802619 0.22277084 1.68584377 65.87346457 -108.72054799 -76.88431371 Cd 3.18362810 1.69581920 1.64685009 31.58826874 -80.03208834 -40.89449526 Cd 0.26959405 2.89955883 -0.14597521 -59.52627269 13.98866411 -78.34866164 Cd 1.70996341 4.49207130 0.15300231 -33.63005263 86.06780336 -91.80232408 Cd 1.53848316 2.95774659 1.41852158 -65.49661687 14.51134168 -42.55931060 Cd -0.04210664 4.38825682 1.27041603 -70.43709788 58.02845247 -20.53602185 Cd 3.19178619 3.14270954 0.29140871 28.07472304 15.96767036 -140.60433856 Cd 4.61455359 4.53253581 0.14904689 51.85581398 50.72265909 -46.25037270 Cd 4.28091226 3.10609294 1.46603997 139.90035015 28.06634863 -20.12129643 Cd 2.80598025 4.32157598 1.51361598 36.23362123 129.31702673 -24.27807481 Cd -0.14801295 -0.02432459 2.96913470 -61.75234843 -47.31587410 0.00991360 Cd 1.43745442 1.27846858 2.99451428 -53.61015260 -55.95091557 53.92407031 Cd 1.09686535 -0.15859300 4.31668137 14.60849413 -64.20453030 44.68100151 Cd -0.08013605 0.94575019 4.59073906 -49.82061212 11.19278670 53.41668140 Cd 3.57094789 -0.06618674 3.13132919 -15.94633448 -95.70331518 50.41769922 Cd 4.75978669 0.99883484 2.78504734 119.45129217 18.05780663 59.02633736 Cd 4.68365717 0.20288723 4.58343331 38.07127724 -26.49853369 53.44299386 Cd 2.79585403 1.44809454 4.72094491 15.53626532 -28.67923558 96.19675483 Cd 0.23171545 3.18190327 2.82183498 -113.33868316 23.04915748 33.07611923 Cd 1.71219253 4.42485375 3.12990665 -49.69712420 120.97489159 37.41170718 Cd 1.28220450 3.28278197 4.56210000 -17.78097362 -19.40240594 91.32950169 Cd 0.13362859 4.32702941 4.57034430 -67.74269353 56.74023422 41.73523313 Cd 3.04852473 3.05473499 2.91561068 31.44572120 19.05350002 69.85240005 Cd 4.63661615 4.40480033 2.87719504 77.21628412 69.89802489 28.84780164 Cd 4.29869006 3.11041876 4.26735611 80.42637353 14.33644480 81.04640453 Cd 2.83533445 4.24148635 4.58611608 31.74607936 65.08019586 89.68845692