16 Lattice="6.0 0.0 0.0 0.0 6.0 0.0 0.0 0.0 6.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=817.7436477131262 stress="-4034.944373615502 60.24353787828386 -1677.441332163713 60.24353787828386 -3880.47739077572 362.23744746120224 -1677.441332163713 362.23744746120224 -3866.2510019097685" pbc="F F F" Na 0.29209963 0.02138906 0.31408278 -306.44415576 -287.77318728 -405.68464045 Na 1.60154138 1.27575874 1.56479032 323.95420183 408.70240376 180.44676800 Na 3.00154090 -0.06594071 -0.14786685 41.30413805 -45.07821931 -46.14901375 Na 4.43962473 1.71533008 1.53390656 962.73818542 -838.49457276 1004.38760469 Na 0.10827067 2.96468728 -0.03353337 -127.11529006 -83.90243569 -110.31606416 Na 1.61329910 4.26407580 1.25815903 6.83264369 203.62791969 70.57777456 Na 3.29564933 2.76229717 0.24208648 -864.36785791 755.98227867 -1149.53814419 Na 4.46670289 4.65363244 1.39269343 52.86098575 75.28289091 33.99438574 Na 0.04948676 -0.04180803 2.73813183 -154.29702538 -120.74574522 225.13023763 Na 1.70931157 1.69361937 4.60851100 -47.05424070 -317.55864248 355.87976594 Na 3.04291614 0.03978488 3.21097499 -216.30420502 -356.27523748 -175.06780814 Na 4.51784301 1.35126270 4.23911866 318.52312330 237.49379023 233.30451531 Na 0.27114412 3.20034898 3.57525623 -411.75640322 -31.00096556 -179.79133586 Na 1.77440810 4.76072789 4.35433061 -15.96317636 487.66805193 304.65795329 Na 2.75569665 3.12395962 3.18563993 400.22983250 -102.20219634 -358.98451757 Na 4.53128194 4.57410241 4.58993242 36.85924387 14.27386693 17.15251897