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=143.14041927479064 stress="-4.584807722113223 0.40239732045601934 0.24304492829279162 0.40239732045601934 -4.287602290608555 0.2542781518340743 0.24304492829279162 0.2542781518340743 -4.0807177742108" free_energy=143.14041927479064 pbc="F F F" W 0.04270730 0.13480683 0.12324216 -10.61155729 -9.37020074 -9.08075203 W 1.74667518 1.61478237 0.01898074 -39.80782996 -15.47843143 -15.17871659 Re 1.66613401 0.10869014 1.37889363 -19.77069887 -30.77267393 -15.08179736 Re 0.07165922 1.59020594 1.63918523 -26.38004529 -12.06560741 -24.83796990 W 2.95677659 0.15050642 0.00239915 10.85410675 -26.61190300 -21.98479697 Re 4.54278917 1.73102483 0.24421963 46.93075650 -4.55197390 -33.05775063 W 4.59176916 0.06487656 1.51477119 20.07285215 -31.73385055 -10.13298848 Re 3.29553441 1.34125301 1.50601457 -9.23566301 13.07069964 18.25815080 Re 0.12771106 2.83447668 0.02805905 -18.21570462 -6.50012395 -27.81465581 Re 1.28502229 4.64120549 0.04683757 28.11447655 21.74819561 -48.99685900 W 1.27017723 3.42007848 1.53499285 78.73172067 -76.66473875 7.11555337 Re 0.21547056 4.51635763 1.36828723 -115.98927548 89.59081054 17.49689760 Re 2.92773702 2.77475215 0.04797327 14.00994543 48.05779212 -26.99253004 W 4.65944719 4.75900491 0.25685297 25.73231540 11.78645701 -18.15098314 W 4.21574623 3.12784938 1.43372255 18.76524948 -14.14008650 -3.51410864 W 2.98887480 4.73666665 1.01865769 -18.21474547 23.06851971 8.33231203 Re 0.01942903 0.29417082 3.19064835 -33.96428896 -29.90509481 -2.37747702 Re 1.51855009 1.45887194 3.02380337 5.15059150 27.18952237 1.39195967 Re 1.20677130 0.07736569 4.72577322 9.94567168 -18.02146019 26.58536651 W 0.14977756 1.79834482 4.77354104 -32.40780036 -8.79088935 21.13314873 Re 2.80767743 0.07675992 2.88803420 9.47542814 -49.77676976 14.54576408 W 4.79497883 1.29599801 2.93863142 29.19827657 27.24498179 -6.51630825 W 4.23333983 0.29119256 4.30691229 54.34349389 -79.22086014 31.78182311 Re 3.16188986 1.44564997 4.24841186 -42.90123313 65.88382268 26.30702621 W 0.00795817 2.76680101 2.90920482 -24.79838741 18.59199893 21.84572001 Re 1.23108817 4.69215061 3.16717744 37.21824004 19.56403682 -30.02847482 W 1.64995810 2.75491735 4.66523617 20.02593888 17.21151744 14.73251558 Re 0.18360837 4.62316734 4.45061547 -37.66584707 1.83062029 45.65865137 W 2.86975542 3.26374154 2.82706660 -18.35170414 -3.75872744 -0.43275373 W 4.70359985 4.25068542 2.88984973 29.72511659 30.71985279 -7.39441277 W 4.27163296 3.15154029 4.28973682 27.16269200 -34.35176481 33.44763855 Re 3.29811016 4.57473240 4.26010779 -17.14209115 36.15632892 12.94080755