32 Lattice="42.0 0.0 0.0 0.0 42.0 0.0 0.0 0.0 42.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=-20.347921683263706 stress="-0.004023211333815851 7.415110253840575e-05 -0.0004661772636129246 7.415110253840575e-05 -0.003738249663870819 -0.0003555801140585228 -0.0004661772636129246 -0.0003555801140585228 -0.004097864742922249" free_energy=-20.347921683263706 pbc="F F F" Ni 20.88909689 21.11115480 21.11044915 -6.98115987 -5.87657653 -8.96369007 Ni 22.70960170 22.31143450 20.83833517 -4.72605749 9.09296978 -4.53242905 Ni 22.31428531 20.83509776 22.36371066 4.85667972 -6.65769192 4.74931264 Ni 21.07687608 22.51878885 22.32834452 -6.40418976 5.70478710 3.70766078 Ni 23.87679405 20.95894820 20.97550362 3.43458814 -11.95995513 -1.71870630 Ni 25.44594316 22.07002603 20.86550211 6.17755896 4.92668056 -5.01264795 Ni 25.28802619 21.22277084 22.68584377 3.96897510 -23.69500785 -22.65159699 Ni 24.18362810 22.69581920 22.64685009 -11.20819216 -10.08446919 -4.30243920 Ni 21.26959405 24.17626233 20.85402479 -3.16556257 -12.38542130 -14.38211914 Ni 22.70996341 25.49207130 21.15300231 -2.67586187 10.97107296 -14.22468384 Ni 22.53848316 23.95774659 22.47687692 -6.82549626 -6.53783637 1.10496689 Ni 20.95789336 25.38825682 22.01687240 -8.91795186 11.81615542 12.10271571 Ni 24.19178619 24.17895518 21.29140871 -8.82234676 -11.42559079 -32.05813572 Ni 25.61455359 25.53253581 21.14904689 5.32720764 7.64633656 -3.56534871 Ni 25.28091226 24.10609294 22.46603997 30.14548873 -4.53078190 8.65309377 Ni 23.80598025 25.32157598 22.51361598 5.87610315 23.86054760 10.74030294 Ni 20.85198705 20.97567541 24.06329927 -8.00690072 -5.49951301 -5.60815659 Ni 22.41938873 22.27846858 23.91453293 2.29373670 4.37537854 -0.43604987 Ni 22.34126820 20.84140700 25.31668137 2.84996715 -10.98800730 5.25737747 Ni 20.91986395 22.24396547 25.59073906 -3.55922077 5.70013048 5.35776282 Ni 24.27219963 20.93381326 24.13132919 -9.59387608 -6.78393038 7.01964635 Ni 25.75978669 22.22592512 23.78504734 15.08754175 19.43123653 16.46255051 Ni 25.68365717 21.40358926 25.58343331 2.26513381 -0.95138389 6.40829580 Ni 23.49928362 22.34894620 25.71888038 4.61181071 4.71710247 4.43093967 Ni 21.23171545 24.18190327 24.10370736 -13.17827650 -8.11897554 -12.40936291 Ni 22.71219253 25.42485375 24.12990665 -4.97529481 15.48074401 -7.79539411 Ni 22.28220450 24.28278197 25.56210000 15.09028394 -26.08302940 14.55697840 Ni 21.13362859 25.32702941 25.57034430 -21.87307241 22.94387224 7.91993095 Ni 24.04852473 24.05473499 23.91561068 -4.84816741 -7.07544006 8.33913111 Ni 25.63661615 25.40480033 23.88720696 5.38492618 10.66054984 -0.44750948 Ni 25.29869006 24.11041876 25.26735611 11.00500404 -9.37830763 10.21373447 Ni 23.83533445 25.24148635 25.58611608 7.38662155 10.70435408 11.08386965