32 Lattice="54.90853874791617 0.0 0.0 0.0 54.90853874791617 0.0 0.0 0.0 54.90853874791617" Properties=species:S:1:pos:R:3:forces:R:3 energy=-87.17082550053179 stress="0.00017267622765984489 4.83900894040306e-05 -5.453030361751729e-05 4.83900894040306e-05 0.00014676000740367453 -1.5136438719163886e-05 -5.453030361751729e-05 -1.5136438719163886e-05 -1.0566876301712619e-05" pbc="F F F" S 27.68393588 27.21528365 27.41242295 -0.76530907 1.24428242 0.86207303 S 29.23699511 29.64561786 27.28114123 1.55531980 0.15420945 1.50891337 S 29.20149025 27.45461125 29.63870552 0.49102358 1.71829922 -0.95631888 Mo 27.33297457 29.54945712 29.46931109 5.55813371 -2.00455359 -2.72949690 S 31.08525920 27.46944756 27.20906458 0.22119126 0.86718314 1.32890378 S 33.31202064 29.54517373 27.37423226 -1.01022426 1.74119295 3.01596812 S 33.30059667 27.22968271 29.47882836 -0.49264474 2.89347565 0.81365141 Mo 31.33990160 29.62232128 29.53556080 -4.61038168 -8.09849060 -1.79206855 S 27.29394123 31.61037892 27.87357648 -1.07815000 -2.19154424 -2.57485355 Mo 29.57378300 33.50297473 27.54494699 -2.55703798 -2.59362516 2.37322615 S 29.41579650 31.45990080 29.46064345 2.50675000 0.96763816 -2.35551224 S 27.44068225 33.15409138 29.32687372 -0.03960682 5.09430669 2.82396899 Mo 31.50056767 31.15453700 27.52511876 -1.25965406 1.98265420 -1.14869483 S 33.39235535 33.34310508 27.59178398 -2.51671169 -3.26009834 2.64420520 Mo 33.52549443 31.31686053 29.57264826 2.85468609 1.73530365 -3.96076430 Mo 31.37594016 33.20361748 29.55102550 1.69659415 2.37885333 -2.34079845 Mo 27.90338593 27.42649639 31.60250697 -3.88088254 2.65022532 -0.53762046 S 29.21161373 29.65555025 31.58263426 0.28077712 -1.40440957 -4.21499416 S 29.36692592 27.39192101 33.12618980 3.06377104 -1.70156003 3.30709585 S 27.44345678 29.37243767 33.49435291 -0.94455066 1.10007704 -1.05592540 S 31.42118353 27.49895453 31.32092430 1.50216618 0.96440931 -0.56644110 Mo 33.29258243 29.44738101 31.30333592 -1.52792373 -2.87667983 0.59245977 Mo 33.22948117 27.34976885 33.12027591 -1.55916368 1.69840832 -0.12318352 S 31.28861409 29.31523699 33.43813049 3.01480463 3.14421698 -1.24140940 Mo 27.30814094 31.59304909 31.27360765 1.28795072 -4.23047178 -2.67995960 Mo 29.26720916 33.49034298 31.17086218 1.54286595 0.83664335 -1.57334535 Mo 29.22172570 31.19060526 33.12078454 4.07536730 -0.52792207 3.18732331 Mo 27.39759349 33.19351976 33.16687946 -1.10008538 2.44889148 2.75070342 Mo 31.13414637 31.40719609 31.15094902 -2.28380521 -1.53596450 5.44161708 Mo 32.95405656 33.37005061 31.56805823 5.51340269 1.28106669 -5.17948377 Mo 33.41704952 31.48071605 33.23172610 -3.30355264 -2.33190854 0.93340976 S 31.52488243 33.51385120 32.96540663 -6.23512007 -2.14410912 3.44735122