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=34.49417358154468 stress="-2.033366070974714 0.09214606097219537 0.581902300381679 0.09214606097219537 -1.7719107643818792 0.34459703246028184 0.581902300381679 0.34459703246028184 -2.928934915507302" pbc="F F T" Na 0.29874826 0.05835534 -0.25354363 -20.68478794 -18.27306896 10.52919250 Na 1.48193431 1.42001865 0.20070203 20.41398856 17.54911643 -9.25980431 Na 1.20342959 0.28187239 1.51001192 27.95670715 -20.97537015 -4.54324329 Na 0.10170120 1.37793365 1.21904386 -27.68590777 21.69932268 3.27385510