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=10.107695872666579 stress="-0.007074782143711309 0.0006249424784693358 -0.0012024708614710622 0.0006249424784693358 -0.006880079434814319 -0.0006495084906965146 -0.0012024708614710622 -0.0006495084906965146 -0.007965513852410724" free_energy=10.107695872666579 pbc="F F F" Ni 20.88909689 21.11115480 21.11044915 -23.33871803 -14.15807010 -38.10498395 Ni 22.70960170 22.31143450 20.86432452 -14.92718486 20.89902304 -4.43337001 Ni 22.01159245 21.13384602 22.41332388 51.76348909 -14.59405550 12.77353534 Ni 20.83648316 22.51878885 22.32834452 -16.91409604 28.04819200 8.64787763 Ni 23.87679405 20.95894820 20.94905028 13.86315548 -21.48397068 0.39332512 Ni 25.54697560 22.12867809 21.06620414 5.53573626 9.51077147 -15.07858301 Ni 25.28802619 21.22277084 22.68584377 4.92487638 -61.32547133 -50.77025144 Ni 24.18362810 22.69581920 22.64685009 -23.09300770 -12.75309934 -9.17351959 Ni 20.97302364 24.17626233 20.85402479 -1.54621441 -11.70060711 -14.90715745 Ni 22.70996341 25.49207130 21.15300231 -18.92986254 14.68626902 -30.44741985 Ni 22.53848316 23.95774659 22.31937324 -12.95700736 -19.93376387 1.53522941 Ni 20.95582883 25.38825682 22.27041603 -3.13977834 13.35636058 13.80999893 Ni 24.19178619 24.17895518 21.29140871 -24.15740161 -28.54370821 -73.13204503 Ni 25.62456551 25.53253581 21.13358029 6.58760689 12.49755178 -9.73557769 Ni 25.28091226 24.20779414 22.46603997 59.59825877 -33.87675627 11.17785697 Ni 23.80598025 25.32157598 22.51361598 7.27820747 54.17835625 35.52469169 Ni 20.85198705 20.85360906 23.78234313 -15.98936197 -5.29559220 16.26943940 Ni 22.43828044 22.27846858 24.24075525 2.46771464 18.50168589 -38.57856536 Ni 22.48429221 20.84140700 25.31668137 -8.78749426 -32.97210796 13.41050950 Ni 21.03029254 22.45343671 25.44586757 -14.75791413 1.96711386 12.33917846 Ni 24.27219963 20.93381326 24.13132919 -20.96828799 -9.84627402 15.00845340 Ni 25.75978669 22.22592512 23.78504734 26.81263030 46.43537278 43.27587951 Ni 25.73646430 21.11622606 25.42998822 4.55942209 -2.02487784 8.17814774 Ni 23.66826638 22.27040298 25.63143651 21.32811007 13.55150356 17.45513245 Ni 21.23171545 23.90476747 23.76041570 -7.22302915 0.17262081 4.98732114 Ni 22.71219253 25.42485375 24.12990665 -13.72300067 21.01589556 -22.92281763 Ni 22.28220450 24.28278197 25.56210000 25.24170174 -61.49319836 23.28224493 Ni 21.13362859 25.32702941 25.32239850 -50.13604719 42.21080801 -5.32767865 Ni 24.04852473 24.05473499 23.91561068 -13.81642427 -7.66311265 15.71788525 Ni 25.69650155 25.40480033 23.57965249 12.08128796 30.49949397 26.47370125 Ni 25.29869006 24.11041876 25.26735611 25.52072703 -10.45541000 12.49249497 Ni 23.83533445 25.24148635 25.58611608 16.84190632 20.58905686 19.85906656