32 Lattice="6.0 0.0 0.0 0.0 6.0 0.0 0.0 0.0 6.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=149.373874201 stress="-4.4217558007370465 0.016268759398686935 -0.04033116288653912 0.016268759398686935 -4.143810000691373 -0.005888275402038353 -0.04033116288653912 -0.005888275402038353 -4.364608515636272" pbc="F F F" As -0.14459490 0.11115480 0.11044915 -8.52068530 -8.95971042 -13.48407434 As 1.74329349 1.33742386 -0.16166483 -1.58511400 -0.72691528 -18.35740462 As 1.01159245 -0.16490224 1.60416852 9.17696230 -18.21920122 -0.84032658 As -0.22187219 1.42462428 1.08394168 -17.05772268 8.39182201 2.10387221 As 2.57857878 -0.04105180 0.20259391 4.72041696 -14.13493297 -7.59977558 As 4.56504129 1.50740770 -0.13449789 9.20235557 -2.93810057 -11.73676261 As 4.28802619 0.22277084 1.68584377 11.38308589 -18.38350056 -11.04740070 As 3.18362810 1.69581920 1.41975981 -5.56043456 -11.13805328 3.33241422 As 0.26959405 3.05716420 -0.14597521 -12.55121049 0.85037099 -15.31098598 As 1.70996341 4.49207130 0.15300231 -5.87709468 21.70729456 -16.11075653 As 1.53848316 2.95774659 1.27988817 -12.14283704 -9.36767227 5.31838816 As -0.04210664 4.38825682 1.32877138 -12.71597105 11.83228596 0.31581447 As 2.93824256 3.17895518 0.29140871 4.01882307 -3.23933923 -33.01403846 As 4.61455359 4.53253581 0.14904689 10.16304163 9.38642846 -9.55997941 As 4.28091226 3.08802725 1.38605862 30.49263382 -2.22642088 2.31364534 As 3.00668228 4.32157598 1.51361598 2.02373119 31.54183702 5.70590619 As -0.14801295 -0.02432459 2.76672885 -17.15304327 -9.17707955 7.39231422 As 1.33830608 1.27846858 2.99244975 2.29749664 4.43378152 -0.59362780 As 1.62314058 -0.15859300 4.31668137 -2.30317885 -11.66094430 11.15473339 As -0.08013605 1.24396547 4.59073906 -7.96542500 -0.17502545 8.11660319 As 3.27219963 -0.06618674 3.13132919 -5.08199556 -16.77257753 3.01679748 As 4.75978669 1.22592512 2.78504734 19.99820383 9.56734360 7.84905718 As 4.68365717 0.20288723 4.58343331 5.36013722 -3.75564826 8.12199542 As 2.80586595 1.43262793 4.72094491 2.27717534 1.25613206 13.10539317 As 0.23171545 3.18190327 2.92353618 -19.44838995 -5.42366999 -5.16912170 As 1.71219253 4.42485375 3.12990665 -2.75730268 25.73317283 -5.35635577 As 1.16013815 3.28278197 4.56210000 0.75095637 -14.36226856 22.40047642 As 0.13362859 4.32702941 4.57034430 -16.93838451 15.17820413 9.65997215 As 2.76756859 3.05473499 2.91561068 2.75730281 -12.00695764 7.15085876 As 4.63661615 4.40480033 2.87802106 13.25411198 11.49114529 4.00299301 As 4.29869006 3.11041876 4.26735611 12.23332096 -2.87580462 9.37623799 As 2.83533445 4.24148635 4.58611608 7.54903405 14.17400413 17.74313710