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=246.89451466640736 stress="-0.0073118597040347354 -0.0007343116831588072 -3.3009697753072824e-05 -0.0007343116831588072 -0.007278966492397168 -0.00035916246653543886 -3.3009697753072824e-05 -0.00035916246653543886 -0.007075129258219232" free_energy=246.89451466640736 pbc="F F F" K 21.14982991 20.74795387 20.82929456 -13.54410002 -20.78667078 -14.77157427 K 22.28747849 22.48596392 22.17634681 -9.73553084 -13.48623179 17.19844265 K 24.28095696 20.82464588 21.26008946 10.68198057 -21.45434801 -19.72856916 K 25.37675974 22.53686707 23.06374345 38.76706880 -9.77938957 -15.21861956 K 20.75346517 23.76772449 20.77715687 -27.37154544 7.85571113 -25.49440862 K 22.09278566 25.43198894 22.32743118 3.62539294 39.98932192 -14.14151032 K 23.79546282 23.70940621 21.11893942 22.00102745 13.96428802 -43.60499388 K 25.22956938 25.33885520 22.53926819 22.39189860 26.87538434 -16.80521595 K 21.23010044 21.09566688 24.12528982 -29.58755657 -18.26003492 6.49759121 K 22.62033173 22.67828948 25.71182891 -14.80111005 -15.15559521 38.50879731 K 23.79301824 20.73241985 24.07255377 8.22882475 -31.79974355 9.01800257 K 25.51129231 22.51258782 25.66911338 22.27504072 -9.21932461 27.44999470 K 20.80454100 24.30858289 23.95588739 -43.52767099 -9.84958684 8.10724645 K 22.45297513 25.34681875 25.36894099 -13.37831434 41.75423995 35.33852309 K 23.87915304 24.03238783 24.24404962 1.23058992 -3.79172392 -13.37898082 K 25.36810690 25.62937675 25.25818085 22.74400449 23.14370384 21.02527460