27 Lattice="-6.127117202610286 -3.537513823713642 0.0 -0.005808317399411748 7.085159295054597 0.0 -1.9304952766163154e-15 1.4150124724387652e-18 32.07115125434345" Properties=species:S:1:pos:R:3:tags:I:1:initial_magmoms:R:1:forces:R:3:magmoms:R:1 energy=-94.71333042094095 stress="-4.418828671183192e-05 -6.268231912563204e-06 4.2759604732397155e-05 -6.268231912563204e-06 1.9070292731051478e-05 -0.00010817579722171628 4.2759604732397155e-05 -0.00010817579722171628 4.8717046863844803e-05" dipole="26.667885649505905 36.077004958549885 0.0015663295835907042" magmom=0.0 free_energy=-94.74018049494664 pbc="T T F" In -2.06155505 1.03412944 8.88247941 0 0.00000000 0.00238960 -0.00348412 0.00149748 0.00000000 In -2.04619648 0.99465264 11.71518634 0 0.00000000 -0.00057316 -0.00008397 0.00098855 0.00000000 Se -4.11361321 2.23087391 7.65626411 0 0.00000000 -0.00129735 -0.00496252 0.00256122 0.00000000 Se -4.10915407 2.20958732 12.96438794 0 0.00000000 0.00016519 -0.00036916 0.00454264 0.00000000 In -2.09818817 1.10527008 23.16589182 1 0.00000000 -0.00210586 0.00131364 0.00469822 0.00000000 In -2.13009939 1.09270553 20.33330066 1 0.00000000 0.00321954 0.00258524 -0.00247701 0.00000000 Se -4.11841266 -0.07552149 24.45531227 1 0.00000000 -0.00235362 -0.00033638 0.00118501 0.00000000 Se -4.12873394 -0.03785895 18.91860233 1 0.00000000 -0.00166147 0.00138318 0.00288869 0.00000000 In -4.10116906 -2.47803030 8.89631603 0 0.00000000 -0.00050573 -0.00149882 0.00577429 0.00000000 In -4.07181200 -2.45029609 11.74411520 0 0.00000000 0.00228187 0.00008594 -0.00231724 0.00000000 Se -0.02566140 2.23417451 7.63603956 0 0.00000000 -0.00040026 0.00091230 -0.00588069 0.00000000 Se -0.03796929 2.22551740 13.02999003 0 0.00000000 0.00125287 0.00243324 0.00173980 0.00000000 In -4.11269809 -2.41430230 23.14817847 1 0.00000000 -0.00117955 0.00063937 -0.00387285 0.00000000 In -4.10980773 -2.36074341 20.29903661 1 0.00000000 0.00103319 0.00042063 0.00387277 0.00000000 Se -0.03449851 -0.07200781 24.39384118 1 0.00000000 -0.00219041 -0.00192385 -0.00308651 0.00000000 Se -0.05192141 -0.07541055 19.06896235 1 0.00000000 0.00237439 0.00198858 -0.00528654 0.00000000 In -0.05036342 4.59760913 8.88207297 0 0.00000000 -0.00400321 -0.00456822 0.00628095 0.00000000 In -0.07689801 4.58512694 11.71572027 0 0.00000000 0.00051400 0.00142964 -0.00314840 0.00000000 Se -2.06989057 -1.31058199 7.60004924 0 0.00000000 0.00248973 -0.00110337 -0.00499268 0.00000000 Se -2.04036729 -1.31488161 13.12215303 0 0.00000000 0.00395800 -0.00074624 0.00498585 0.00000000 In -0.01272885 4.63975669 23.16646668 1 0.00000000 0.00114831 0.00084898 0.00381324 0.00000000 In 0.00147446 4.61985720 20.33444708 1 0.00000000 -0.00154123 0.00414562 -0.00157208 0.00000000 Se -2.07524847 3.47491917 24.40332252 1 0.00000000 -0.00006518 -0.00012127 -0.00314253 0.00000000 Se -2.06652352 3.46624881 19.04364503 1 0.00000000 -0.00092245 0.00300458 -0.00436906 0.00000000 In -3.94733332 2.13381731 16.01916942 2 0.00000000 -0.00155420 -0.00414557 -0.00186046 0.00000000 In -0.49757623 0.27831878 15.99699667 2 0.00000000 0.00298630 0.00272548 -0.00156166 0.00000000 In -1.01040399 3.59629563 16.00300098 2 0.00000000 -0.00337392 -0.00030397 -0.00145530 0.00000000