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=-86.15448338641032 stress="-0.0026109499557562684 7.328077405749256e-05 -0.00014907829462495816 7.328077405749256e-05 -0.002465630759409263 -0.00016303990498321976 -0.00014907829462495816 -0.00016303990498321976 -0.0025828662604628614" free_energy=-86.15448338641032 pbc="F F F" Ni 20.88909689 21.11115480 21.11044915 -1.29121386 -4.00531890 -4.92211169 Ni 22.70960170 22.31143450 20.83833517 -3.79903938 3.66007347 -2.26566128 Ni 22.31428531 20.83509776 22.64041416 2.26003520 -6.83304307 -4.60067570 Ni 20.77812781 22.51878885 22.32834452 -2.78690383 3.34640940 2.60619652 Ni 23.87679405 20.95894820 20.92589040 2.12003781 -6.78588082 -0.56910858 Ni 25.52879565 22.11449487 20.86550211 3.11341283 1.53531700 -3.00612536 Ni 25.28802619 21.22277084 22.68584377 3.22833466 -11.98615595 -11.43487546 Ni 24.18362810 22.69581920 22.64685009 -11.48506851 -10.38437803 -2.54870083 Ni 21.26959405 24.17626233 20.85402479 -6.00297081 -4.57816067 -9.38074735 Ni 22.70996341 25.49207130 21.15300231 0.00655144 10.04450413 -6.76830208 Ni 22.53848316 23.95774659 22.17411873 -1.80400014 -6.17867959 7.17282277 Ni 20.95789336 25.38825682 22.27041603 -4.66409794 6.51573025 2.75744555 Ni 24.19178619 24.17895518 21.29140871 -1.86329693 -4.77366075 -20.58956812 Ni 25.61455359 25.53253581 21.14904689 4.91723802 3.64429619 -2.90140305 Ni 25.28091226 23.80787766 22.46603997 21.39392174 0.80073536 1.24745986 Ni 24.10472851 25.32157598 22.51361598 -2.86304448 15.93006612 5.91434443 Ni 20.85198705 20.97567541 24.06329927 -7.59264571 -3.83983526 -2.78093595 Ni 22.43745442 22.27846858 23.76742400 1.83243932 6.32007790 4.25815151 Ni 22.34126820 20.84140700 25.31668137 3.51975134 -5.26368073 3.85309346 Ni 20.91986395 22.24396547 25.59073906 -2.15330168 4.76898665 3.66060837 Ni 24.27219963 20.93381326 24.13132919 -7.46123680 -6.61459441 1.97559688 Ni 25.75978669 22.22592512 23.78504734 10.55874400 8.14030424 9.65428540 Ni 25.56455903 21.06425382 25.58343331 4.37310592 -1.46921281 3.98672529 Ni 23.85420938 22.19455091 25.72094491 -0.95079157 4.08186272 3.08535092 Ni 21.23171545 24.18190327 23.80376929 -5.14414599 -4.53651616 -0.88577758 Ni 22.71219253 25.42485375 24.12990665 -1.44779137 10.17574466 -6.90458781 Ni 22.28220450 24.28278197 25.56210000 2.79824494 -13.63289055 7.07430995 Ni 21.13362859 25.32702941 25.57034430 -11.10855809 8.55396524 3.49784407 Ni 24.04852473 24.05473499 23.91561068 -4.52138364 -2.88224134 5.01806947 Ni 25.63661615 25.40480033 23.79721369 4.95496914 4.49294997 0.45100513 Ni 25.29869006 24.11041876 25.26735611 7.15579691 -5.00107654 5.75157768 Ni 23.83533445 25.24148635 25.58611608 4.70690744 6.75430228 7.59369355