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=-299.3051803891417 stress="-386.33431030429466 13.356442772607195 -37.46720743655122 13.356442772607195 -363.3484745232105 -10.217436134851027 -37.46720743655122 -10.217436134851027 -396.84788087504205" pbc="F F F" Fe -0.11090311 0.11115480 0.11044915 -9.67852953 -7.43744591 -13.05057625 Fe 1.70960170 1.31143450 -0.13567548 -9.76437955 18.15817093 -8.26442813 Fe 1.28829595 -0.16490224 1.36371066 3.30537329 -6.94362672 14.14917192 Fe 0.07687608 1.51878885 1.32834452 -5.83408783 7.02350664 7.41692116 Fe 2.64970377 -0.04105180 0.08349577 16.48534161 -18.26021206 -4.84235054 Fe 4.42640788 1.26701478 -0.13449789 6.18112404 0.69407264 -8.43026568 Fe 4.28802619 0.22277084 1.68584377 5.92878222 -27.89323271 -27.04363873 Fe 3.18362810 1.69581920 1.39330646 -18.12805410 -17.79781131 7.65876934 Fe 0.26959405 3.17626233 -0.14597521 -6.82108762 -9.19260470 -14.02721606 Fe 1.70996341 4.49207130 0.15300231 -6.48347343 15.04129262 -18.46108643 Fe 1.53848316 2.95774659 1.40045588 -8.37128512 -13.12403685 6.10356835 Fe -0.04210664 4.38825682 1.27041603 -7.90302172 10.95427435 6.89902129 Fe 3.19178619 3.17895518 0.29140871 -11.49838918 -10.63535049 -50.15634457 Fe 4.61455359 4.53253581 0.14904689 7.83636584 10.73765012 -6.77653182 Fe 4.28091226 3.10609294 1.46603997 43.61236736 -7.60926272 11.58725761 Fe 2.80598025 4.32157598 1.51361598 5.56161937 36.38360801 16.00438141 Fe -0.14801295 -0.02432459 3.06329927 -12.09707250 -7.82971230 -9.45509878 Fe 1.35747307 1.27846858 3.19521631 8.32503915 13.27156663 -12.94123904 Fe 1.34126820 -0.15859300 4.31668137 9.40788589 -15.49360168 12.75495325 Fe -0.08013605 1.24396547 4.59073906 -8.19813278 8.78150300 9.82563299 Fe 3.27219963 -0.06618674 3.13132919 -18.78386756 -7.34467173 1.85608963 Fe 4.75978669 1.22592512 2.78504734 15.94224327 23.44690111 20.09242187 Fe 4.38708675 0.10373889 4.58343331 7.19173802 -0.72381302 11.24079707 Fe 2.79378950 1.72996693 4.70547830 -0.17363619 -3.16705808 4.10755899 Fe 0.23171545 3.18190327 2.92353618 -12.36683032 -8.74665098 -4.50093295 Fe 1.71219253 4.42485375 3.12990665 -6.42219197 19.92477486 -10.08717323 Fe 1.28220450 3.28278197 4.56210000 12.39947560 -32.52442018 14.94492141 Fe 0.13362859 4.32702941 4.57034430 -25.99561941 24.01554698 6.15372424 Fe 3.04852473 3.05473499 2.91561068 -8.40294083 -15.86896824 7.33831204 Fe 4.63661615 4.40480033 2.75512869 7.76429756 14.28170775 4.94438380 Fe 4.29869006 3.11041876 4.26735611 17.63126219 -6.80427552 10.78959800 Fe 2.83533445 4.24148635 4.58611608 9.34968422 14.68217957 14.16939783