16 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=-34.06995454211454 stress="-39.325878754939964 -1.170532763161134 2.1373220490007476 -1.170532763161134 -16.480395013664452 -1.3472349597883166 2.1373220490007476 -1.3472349597883166 0.1314444405807933" pbc="F F F" S 0.01980137 -0.03759768 -0.08338442 -0.55259630 -0.38520165 2.13153114 S 1.41973134 1.72586561 1.79391194 -0.78005645 -1.33035159 -3.24731439 S 2.79942466 0.22092868 -0.09277445 0.27080629 -0.84866139 -0.48745492 S 4.55646063 1.39362841 1.73573857 0.88339634 3.67088058 1.90868205 S 0.18444578 2.77538150 -0.29703668 -0.68188556 1.68414321 1.35974910 Mo 1.34887301 4.72083292 1.05549812 1.50312254 -2.49003929 0.91409159 S 2.87243031 2.92299150 -0.09301634 1.67565904 3.09909262 2.98751070 Mo 4.68107110 4.32825321 1.92870933 -1.23584827 -3.25641533 -2.51722432 Mo 0.08268940 0.26120756 3.01193751 -0.68719901 -2.43857398 -2.45033321 Mo 1.75226748 1.32497664 4.54396501 -4.57890291 0.34201336 6.85281260 S 3.07236142 0.20379337 3.23854596 -2.95201373 -5.73759281 -3.89342867 Mo 4.26922180 1.28229695 4.52031036 6.73385089 2.04364428 2.74982760 Mo 0.18745344 3.02015752 3.05060388 -6.17149513 1.48229996 -0.83235657 S 1.77711528 4.34882242 3.95433395 -4.53743628 5.37423059 1.44050001 Mo 2.73125112 2.71824351 3.13616082 9.50546883 -1.27867293 -8.29252140 Mo 3.98185146 4.48509649 4.61897676 1.60512971 0.06920435 1.37592867