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=174.8682177575286 stress="-0.02153323594406752 -0.00047220515768523256 0.0027575037873325673 -0.00047220515768523256 -0.01753123545430338 -0.012928463313878433 0.0027575037873325673 -0.012928463313878433 -0.0194089977547592" pbc="F F F" Ru 21.18238868 21.11651966 21.09461032 -56.80754744 -61.30763042 -62.14200940 Ru 22.67191385 22.54667572 22.22949905 -9.29912270 97.79309323 155.58910600 Ru 24.11423307 21.16500426 21.13094141 -46.21797029 -231.91364932 -243.22719671 Ru 25.30874369 22.33473451 22.55869076 173.20628240 137.45576188 146.82251737 Ru 21.00781489 23.87905448 21.08489875 -104.61017124 -32.55882018 -75.58164267 Ru 22.23669322 25.49727202 22.26848441 -393.74009299 393.48909913 456.14143812 Ru 23.57506254 24.56097757 21.02582835 475.68307228 -290.69608174 -434.97822348 Ru 25.79040729 25.44500214 22.63210715 50.04787994 36.31042135 -36.38318500 Ru 20.96272889 21.21813960 23.68699644 -22.78249258 -18.08759649 5.04500026 Ru 22.20360187 22.27626048 25.63662363 16.81832743 9.02249573 31.83270415 Ru 24.08637936 20.90647887 24.32152804 -81.64377791 -109.04726423 -73.23194679 Ru 25.28056277 22.41144800 25.56826643 75.19135711 90.77877298 80.21367527 Ru 21.08132723 24.08773944 24.12103006 -85.68664712 -72.36442808 -60.28609758 Ru 22.49318028 25.49583897 25.30531938 58.35623695 83.39781410 74.61804536 Ru 24.13788212 24.21470043 23.84509838 -64.23813776 -45.86128645 15.79204272 Ru 25.60600307 25.22753310 25.63199177 15.72280392 13.58929851 19.77577238