16 Lattice="42.0 0.0 0.0 0.0 42.0 0.0 0.0 0.0 42.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=817.743647713129 stress="-0.0544615102798768 0.0008131348919972219 -0.02264120143833987 0.0008131348919972219 -0.05237659797505303 0.004889286354891706 -0.02264120143833987 0.004889286354891706 -0.05218457782515099" pbc="F F F" Na 21.29209963 21.02138906 21.31408278 -306.44415576 -287.77318728 -405.68464045 Na 22.60154138 22.27575874 22.56479032 323.95420183 408.70240376 180.44676800 Na 24.00154090 20.93405929 20.85213315 41.30413805 -45.07821931 -46.14901375 Na 25.43962473 22.71533008 22.53390656 962.73818542 -838.49457276 1004.38760469 Na 21.10827067 23.96468728 20.96646663 -127.11529006 -83.90243569 -110.31606416 Na 22.61329910 25.26407580 22.25815903 6.83264369 203.62791969 70.57777456 Na 24.29564933 23.76229717 21.24208648 -864.36785791 755.98227867 -1149.53814419 Na 25.46670289 25.65363244 22.39269343 52.86098575 75.28289091 33.99438574 Na 21.04948676 20.95819197 23.73813183 -154.29702538 -120.74574522 225.13023763 Na 22.70931157 22.69361937 25.60851100 -47.05424070 -317.55864248 355.87976594 Na 24.04291614 21.03978488 24.21097499 -216.30420502 -356.27523748 -175.06780814 Na 25.51784301 22.35126270 25.23911866 318.52312330 237.49379023 233.30451531 Na 21.27114412 24.20034898 24.57525623 -411.75640322 -31.00096556 -179.79133586 Na 22.77440810 25.76072789 25.35433061 -15.96317636 487.66805193 304.65795329 Na 23.75569665 24.12395962 24.18563993 400.22983250 -102.20219634 -358.98451757 Na 25.53128194 25.57410241 25.58993242 36.85924387 14.27386693 17.15251897