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=-68.03961730311171 stress="4.298281821986005e-05 8.984970950968291e-05 7.33911614940276e-05 8.984970950968291e-05 5.090835612324749e-05 -5.6663775733049556e-05 7.33911614940276e-05 -5.6663775733049556e-05 1.8165084694368844e-05" pbc="F F F" Ru 20.85540510 21.11115480 21.11044915 0.82961346 0.82821690 1.01479967 Ru 22.70960170 22.31143450 22.19032222 -1.90685698 1.93746991 1.06533463 Ru 23.76397137 20.83509776 21.20371343 0.11058670 -1.56117934 -1.29253727 Ru 25.27812781 22.51878885 22.32834452 0.95528181 0.71496478 0.99501502 Ru 20.87679405 23.95894820 21.20259391 0.66164745 -1.37989664 0.34039431 Ru 22.56504129 25.20865944 22.36550211 -4.19990480 4.11865063 3.50519602 Ru 23.78802619 24.22277084 21.18584377 4.31105403 -2.34824636 -3.79403938 Ru 25.68362810 25.69581920 22.64685009 -1.83945611 -1.66402311 1.02970495 Ru 21.20704847 20.95473091 23.85402479 0.98426949 0.59974031 -0.82053377 Ru 22.70996341 22.48658558 25.49427051 0.54072497 0.15809803 0.03413395 Ru 24.03848316 20.95774659 23.75992857 -0.96814330 -0.56704035 0.68799373 Ru 25.45789336 22.38825682 25.27041603 -1.03102221 1.40813294 -0.68573638 Ru 21.19178619 24.17895518 24.29140871 -1.12707293 -0.66829600 -0.86269195 Ru 22.61455359 25.34921719 25.56891084 0.95987408 0.11851109 1.05368128 Ru 23.78091226 24.10609294 23.96603997 2.14704705 -0.93032347 -1.20318624 Ru 25.30598025 25.32157598 25.51361598 -0.42764272 -0.76477931 -1.06752858