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=-24.46286794600529 stress="-0.004674306213949522 -0.0011754482216705705 0.0009604205090840136 -0.0011754482216705705 -0.00396972331482768 0.00023238714734952998 0.0009604205090840136 0.00023238714734952998 -0.005415761012442089" pbc="F F F" I 20.96991860 21.15880961 21.18979404 -11.34925818 -8.45772258 -20.21158458 I 22.60554291 22.39470430 22.49782815 -0.03641905 30.95502870 -28.20707215 I 24.00687250 20.95859314 20.81377139 -12.57652842 -10.90570646 -14.60592827 I 25.42485285 22.12635345 22.39754009 16.63467351 19.68986086 9.66774670 I 20.79417927 24.13638272 21.16285991 -20.59532629 -18.59746507 -19.27399802 I 22.35039557 25.21467854 22.56914096 37.97070006 87.90712676 -23.94870360 I 23.75451386 24.27614489 20.94459233 21.46273931 -18.55416590 -26.77723579 I 25.50411062 25.21501450 22.71802747 3.44882733 1.29060913 -0.94930106 I 20.88740050 21.17407997 23.71810551 -19.26629145 -13.16244554 12.87320338 I 22.45066835 22.42142851 25.24189128 -33.36909366 -15.77147946 52.62014924 I 23.81459241 20.94837643 23.93294070 23.23299903 -39.28481861 9.57772857 I 25.51159992 22.67400942 25.28122541 4.81088288 -6.09753869 2.51451465 I 20.99447719 24.16077088 23.98706226 -56.06518383 -39.49255589 51.55661761 I 22.90304183 25.51452722 25.55852604 -15.81620006 24.90995757 23.48654344 I 23.70206730 23.92309682 24.04217732 60.03211054 4.31793755 -28.32427437 I 25.58342686 25.35738040 25.46804763 1.48136828 1.25337762 0.00159425