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=-0.7245483019255546 stress="0.04951687048449309 -0.009986125931963283 -0.0022021500743714157 -0.009986125931963283 0.06480676517449656 -0.0068517732485983964 -0.0022021500743714157 -0.0068517732485983964 0.0464170103481075" pbc="F T F" user13 0.09153944 -0.01679219 0.14596217 0.35076235 0.13598345 0.35340159 user13 1.46959539 1.36410352 0.29632292 -0.44131616 -0.28584336 0.54741432 user13 1.41809579 0.22434039 1.63445171 -0.57684165 0.51522056 -0.50767393 user13 0.14610350 1.32729243 1.62100582 0.66739546 -0.36536065 -0.39314197