32 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=149.3738742009308 stress="-0.006824274015403297 2.510823234712535e-05 -6.224470986195449e-05 2.510823234712535e-05 -0.006395309055233916 -9.087612847074666e-06 -6.224470986195449e-05 -9.087612847074666e-06 -0.00673607630609081" free_energy=149.3738742009308 pbc="F F F" As 20.85540510 21.11115480 21.11044915 -8.52068530 -8.95971042 -13.48407434 As 22.74329349 22.33742386 20.83833517 -1.58511400 -0.72691528 -18.35740462 As 22.01159245 20.83509776 22.60416852 9.17696230 -18.21920122 -0.84032658 As 20.77812781 22.42462428 22.08394168 -17.05772268 8.39182201 2.10387221 As 23.57857878 20.95894820 21.20259391 4.72041696 -14.13493297 -7.59977558 As 25.56504129 22.50740770 20.86550211 9.20235557 -2.93810057 -11.73676261 As 25.28802619 21.22277084 22.68584377 11.38308589 -18.38350056 -11.04740070 As 24.18362810 22.69581920 22.41975981 -5.56043456 -11.13805328 3.33241422 As 21.26959405 24.05716420 20.85402479 -12.55121049 0.85037099 -15.31098598 As 22.70996341 25.49207130 21.15300231 -5.87709468 21.70729456 -16.11075653 As 22.53848316 23.95774659 22.27988817 -12.14283704 -9.36767227 5.31838816 As 20.95789336 25.38825682 22.32877138 -12.71597105 11.83228596 0.31581447 As 23.93824256 24.17895518 21.29140871 4.01882307 -3.23933923 -33.01403846 As 25.61455359 25.53253581 21.14904689 10.16304163 9.38642846 -9.55997941 As 25.28091226 24.08802725 22.38605862 30.49263382 -2.22642088 2.31364534 As 24.00668228 25.32157598 22.51361598 2.02373119 31.54183702 5.70590619 As 20.85198705 20.97567541 23.76672885 -17.15304327 -9.17707955 7.39231422 As 22.33830608 22.27846858 23.99244975 2.29749664 4.43378152 -0.59362780 As 22.62314058 20.84140700 25.31668137 -2.30317885 -11.66094430 11.15473339 As 20.91986395 22.24396547 25.59073906 -7.96542500 -0.17502545 8.11660319 As 24.27219963 20.93381326 24.13132919 -5.08199556 -16.77257753 3.01679748 As 25.75978669 22.22592512 23.78504734 19.99820383 9.56734360 7.84905718 As 25.68365717 21.20288723 25.58343331 5.36013722 -3.75564826 8.12199542 As 23.80586595 22.43262793 25.72094491 2.27717534 1.25613206 13.10539317 As 21.23171545 24.18190327 23.92353618 -19.44838995 -5.42366999 -5.16912170 As 22.71219253 25.42485375 24.12990665 -2.75730268 25.73317283 -5.35635577 As 22.16013815 24.28278197 25.56210000 0.75095637 -14.36226856 22.40047642 As 21.13362859 25.32702941 25.57034430 -16.93838451 15.17820413 9.65997215 As 23.76756859 24.05473499 23.91561068 2.75730281 -12.00695764 7.15085876 As 25.63661615 25.40480033 23.87802106 13.25411198 11.49114529 4.00299301 As 25.29869006 24.11041876 25.26735611 12.23332096 -2.87580462 9.37623799 As 23.83533445 25.24148635 25.58611608 7.54903405 14.17400413 17.74313710