16 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=-0.0382992580977764 stress="-4.399077447921418e-06 -5.868548591136652e-07 -1.895880404508002e-08 -5.868548591136652e-07 -3.5804631210108003e-06 -1.1985571255637646e-06 -1.895880404508002e-08 -1.1985571255637646e-06 -4.141850744022224e-06" free_energy=-0.0382992580977764 pbc="F F F" H 21.21813893 20.76716069 21.19410236 -0.02830125 -0.01958796 -0.02022173 H 22.33096497 22.38201197 22.43300593 0.01107346 0.04113197 0.01697900 H 23.72002482 20.91312509 21.04629776 0.02538098 -0.00924283 -0.00852202 H 25.46512192 22.72586561 22.79391194 0.04790581 -0.02382043 -0.04382316 H 20.94595057 24.32080799 20.96305161 -0.00358950 -0.00298790 -0.00296779 H 22.68220204 25.39362841 22.73573857 -0.00977772 0.02503801 -0.01929069 H 23.98185114 23.84866087 20.70296332 -0.00076525 0.00085878 -0.00463047 H 25.34887301 25.72083292 22.48974689 0.01287363 0.01227196 -0.01165606 H 20.98735431 20.92299150 23.90698366 -0.00963144 -0.00877420 0.01292703 H 22.68107110 22.32825321 25.63102478 -0.01504782 0.01412995 0.02209630 H 24.09995250 21.26120756 24.14154951 -0.00659641 -0.04262067 -0.01848166 H 25.75226748 22.33857856 25.54396501 0.01515412 0.00861611 0.01705544 H 21.07236142 24.20379337 24.23854596 -0.05405644 -0.04640172 -0.04015453 H 22.26922180 25.28229695 25.52031036 0.04429521 0.03944059 0.04991808 H 24.18745344 24.02015752 23.87970777 -0.03548034 0.00639770 0.04081145 H 25.77711528 25.37871118 25.25213077 0.00656294 0.00555064 0.00996079