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=51.9840539215714 stress="-7.792909453037542 -1.7295575061791832 -0.3963951597360683 -1.7295575061791832 -8.283288667350488 1.4966117500467575 -0.3963951597360683 1.4966117500467575 -6.077345151508378" pbc="T T F" Re -0.13449789 -0.21197381 0.22277084 54.71055189 71.32332191 -62.91250472 Re 1.68584377 1.68362810 0.19581920 -66.24157135 -41.29739827 -58.77385601 Re 1.64685009 0.42259636 1.67626233 -31.04916331 -18.51138391 43.69221464 Re -0.14597521 1.70996341 1.49207130 42.58018276 -11.51453973 77.99414609