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=-124.73093596150049 stress="-1.0744341651677207 0.007800303474174936 0.026524718917614206 0.007800303474174936 -1.0294682519184626 -0.02489673027431893 0.026524718917614206 -0.02489673027431893 -1.0423049176659407" free_energy=-124.73093596150049 pbc="F F F" Ni 0.13918523 0.22975609 0.00239915 -3.82493745 -2.80930021 -2.48471197 Mo 1.54278917 1.51937115 0.24421963 -5.00978251 4.50870568 -13.77949774 Mo 1.59176916 0.06487656 1.51477119 -4.62561119 -17.68017405 -3.22652686 Ni 0.29553441 1.24995669 1.46315830 -7.14124654 2.51218881 1.17655141 Mo 2.70763472 0.12771106 0.02805905 8.75565649 -8.17545832 -7.90296477 Ni 4.28502229 1.60298172 0.04683757 3.88934652 1.22332298 -3.65029792 Mo 4.54263272 0.18292312 1.42208433 3.78211612 -4.31444833 -0.37891297 Ni 2.74043896 1.71547056 1.51635763 7.19208543 -6.04289015 -2.65561130 Mo 0.04797327 3.05652019 0.25900491 -7.24213121 0.88748264 -5.71580898 Ni 1.28947134 4.75685297 0.12784938 -0.25549830 2.14846645 -3.46574419 Mo 1.43372255 2.98887480 1.73666665 -9.12242525 0.45955525 -8.86285248 Ni 0.01942903 4.79417082 1.51981922 -2.66882328 2.21209772 1.98365052 Ni 2.80732723 2.95887194 0.03691384 0.30123817 1.24415833 -5.68650882 Mo 4.20677130 4.57736569 0.22577322 12.08830297 2.12455021 -10.99224614 Mo 4.64977756 3.09364432 1.77354104 11.40789680 -1.24022897 -4.34706075 Mo 3.03273964 4.57675992 1.18400029 -6.84805284 10.78234173 6.74814647 Ni 0.29497883 0.29119256 2.80691229 -5.72556730 -3.57728288 3.73763366 Ni 1.66188986 1.24725478 2.74841186 -6.48722914 6.41735877 5.36880779 Ni 1.49214527 0.00795817 4.26680101 -2.96978469 -2.23971701 4.96558738 Ni 0.19215061 1.66717744 4.64995810 -4.81520626 -7.35948192 6.36166216 Mo 2.75491735 0.16523617 2.88290997 10.25526316 -14.00241135 1.90278063 Ni 4.37846166 1.35733739 3.18360837 5.83832339 2.06913170 -2.35349242 Ni 4.62919136 0.14592855 4.32706660 2.89403495 -4.13243299 2.65078178 Ni 3.15999242 1.25068542 4.22822113 -1.03492019 3.94229005 7.89720340 Mo 0.15154029 2.52375771 3.29811016 -12.50065308 2.80033775 -5.15986446 Mo 1.57473240 4.26010779 2.99582161 -6.57525181 17.29471533 6.27134189 Mo 1.55926218 2.72754451 4.73715536 7.01453877 1.25104862 9.36093000 Ni 0.02704010 4.28209294 4.48656723 -1.97364898 2.56274615 2.02958117 Mo 2.98688953 3.20470050 2.77493780 6.81377897 -1.89750431 9.05137124 Mo 4.62749873 4.49397598 3.39191366 4.43604887 15.43648955 -4.61171940 Mo 4.66162860 3.21338862 4.36129912 2.84580977 -8.87561993 11.90640198 Ni 2.66853448 4.52610686 4.62370952 1.30632963 2.46996270 3.86138969