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=-65.28254759090656 stress="-2664.3533272997392 -209.814950081186 202.41459039910671 -209.814950081186 -2629.4966483667026 -578.0264333664416 202.41459039910671 -578.0264333664416 -2948.9684798593125" pbc="F F F" P 0.50786408 -0.17487120 0.17651140 -380.07693359 -24.49999150 -313.35557340 P 1.68358490 1.40336265 -0.20431585 -308.07755829 366.28229312 17.77891752 P 1.83484044 -0.22407272 1.21144824 203.49321685 -100.02005758 500.19295804 P 0.10136194 1.29357027 1.40835039 7.42860990 76.75829136 -66.75139530 P 2.78599313 0.12538092 -0.23608012 408.33580825 -358.29184881 -275.97782013 P 4.52527229 1.40740851 0.07084535 65.19849512 18.03548622 -90.41040664 P 4.46405690 -0.06768879 1.44363178 174.64156975 -171.69920985 31.15883968 P 3.16424320 1.10872518 1.28903599 -192.03859638 291.31043452 130.54913928 P -0.02663320 3.14702153 0.15389742 -225.51407425 -648.75390834 -524.56444232 P 1.20017397 4.39246973 -0.26920468 160.63635482 119.79386997 -86.18838059 P 1.76335809 2.94599416 1.41129008 -388.48528970 -477.03581568 -79.26519752 P 0.22214215 4.22376274 1.35192154 73.04633241 514.54999503 632.68999081 P 2.84697947 3.05084788 -0.12757085 65.26071345 9.31573360 -50.78070251 P 4.51481914 4.71038454 -0.10484304 -12.63288862 1.92583400 -0.59225614 P 4.71664000 3.09983178 1.13079848 -17.84586323 -0.96812293 26.94232815 P 2.70663988 4.32114569 1.57577290 289.20229388 539.47026210 -101.28605743 P -0.08490612 0.28537833 2.98793232 -177.99444698 -143.30327006 76.63927831 P 1.42817252 1.21447339 2.92290772 181.85106964 128.03614199 -12.73665449 P 1.45889566 -0.11985467 4.60726890 3.01714059 15.44602753 -12.49953362 P -0.22880132 1.76634480 4.71382172 2.60603027 -39.67948604 44.38597290 P 3.22075330 0.24369724 3.08891957 -15.24250503 -43.31705406 -4.37032411 P 4.73070111 1.59931970 2.95813562 -7.27282122 8.18871462 -15.69142747 P 4.62880241 -0.25030334 4.49572068 1.96017817 8.52562715 0.08226102 P 2.83971038 1.75926154 4.28215299 -19.43520178 -108.50258508 21.85789583 P -0.19489000 2.61329045 3.00350106 19.76091610 37.03589694 -57.20823161 P 1.24663989 4.31273780 3.14745840 313.22916153 -122.48455015 -627.72604154 P 1.41359458 2.97849662 4.50221825 -54.73001947 -15.12267421 48.41812294 P 0.37462388 4.77626836 4.45248493 -394.92219852 206.68449466 581.71770693 P 2.72488819 3.19084451 2.96413239 133.30615657 -151.19656890 197.07260078 P 4.41124171 4.30267768 2.87054049 6.57088334 -0.93967258 3.80765632 P 4.34556830 2.79601183 4.61619954 68.10394462 64.63512401 10.56078448 P 2.49416773 4.69236137 4.76471598 16.61952178 -0.17941108 -4.45000819