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=14113.806357102843 stress="-2443.1629272794485 -1260.2433641836003 -799.9296226681623 -1260.2433641836003 -2195.781121946429 445.79595481343506 -799.9296226681623 445.79595481343506 -1850.756838671559" pbc="T F T"
Ru       0.26010177       0.13213106       0.35392878  -57335.07620961  -40995.27394105  -24088.63212512 
Ru       1.23695335       1.25064384       0.23827194   33761.37374972   47643.55729158  -16884.12875951 
Ru       1.32681663       0.15929796       1.44523636   26837.54340479  -11254.83112229   36695.29491767 
Ru      -0.07557449       1.50016661       1.50629317   -3263.84094490    4606.54777176    4277.46596696