4 Lattice="3.0 0.0 0.0 0.0 3.0 0.0 0.0 0.0 3.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=23.524698313027965 stress="-5.914377680875888 -2.7485880861256216 -0.6453137945185948 -2.7485880861256216 -6.90218091521422 1.284344141820786 -0.6453137945185948 1.284344141820786 -4.635670283402296" pbc="T T F" Ru -0.29134056 -0.13449789 0.22277084 59.14981495 79.72345252 -50.28898012 Ru 1.68584377 1.68362810 0.19581920 -75.88776711 -54.42283506 -43.01891975 Ru 1.64685009 0.42259636 1.67626233 -31.85452097 -21.87940799 30.22898180 Ru -0.14597521 1.70996341 1.49207130 48.59247313 -3.42120947 63.07891807