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=46.748153285824905 stress="-0.0074053342858754695 -0.0010027230305044948 -0.005003694947291983 -0.0010027230305044948 0.009197503825048189 0.0033204172292196792 -0.005003694947291983 0.0033204172292196792 -0.010772219143867282" free_energy=46.748153285824905 pbc="F F F" C 21.12569908 21.21734744 20.87174021 -5.11031794 15.07023943 -16.62494178 Si 22.02618175 22.51683428 22.79821923 58.58114443 57.83071690 -31.50854022 C 23.64548167 20.99058583 20.93560420 -3.18120644 10.19128754 -1.69794055 C 25.15652223 22.13933251 22.46212923 -0.12187297 1.97903619 1.48383284 C 20.95099014 23.70488082 21.04731008 -8.31784544 -1.46514852 -23.77322725 C 22.59909897 25.27561420 22.30677386 -3.38872077 -7.81391736 -6.64583491 C 23.90401393 23.84323888 20.81134439 -12.18219113 -11.14611115 -4.49454611 Si 25.57106855 25.01920181 22.18053804 13.83717304 7.59991887 -3.01259104 Si 21.24812116 21.16311869 24.24140249 -3.02211713 -7.67210117 107.65364910 Si 22.73672153 22.74741067 25.47470424 -99.68303499 -65.34961787 30.80918324 C 23.75381041 21.09494564 24.03753408 73.06298167 -8.81108202 22.53475354 Si 25.35844045 22.69291102 25.22817044 148.09356336 265.16246043 221.30657874 C 21.11507117 24.46817988 23.76822258 -0.37297426 -2.43483495 -4.96872436 Si 22.46566227 25.60360069 25.11007198 -6.31498890 8.80962434 4.87551903 Si 23.93585131 23.73253452 24.02826565 -350.78198769 -52.19384399 -446.61373027 Si 25.23116772 25.56799256 25.76554664 198.90239515 -209.75662666 150.67656000