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=-65.28254759090811 stress="-0.03596200906084292 -0.002831969415845805 0.0027320833387203926 -0.002831969415845805 -0.03549153234486941 -0.007801890095109028 0.0027320833387203926 -0.007801890095109028 -0.039803591402916755" free_energy=-65.28254759090811 pbc="F F F" P 21.50786408 20.82512880 21.17651140 -380.07693359 -24.49999150 -313.35557340 P 22.68358490 22.40336265 20.79568415 -308.07755829 366.28229312 17.77891752 P 22.83484044 20.77592728 22.21144824 203.49321685 -100.02005758 500.19295804 P 21.10136194 22.29357027 22.40835039 7.42860990 76.75829136 -66.75139530 P 23.78599313 21.12538092 20.76391988 408.33580825 -358.29184881 -275.97782013 P 25.52527229 22.40740851 21.07084535 65.19849512 18.03548622 -90.41040664 P 25.46405690 20.93231121 22.44363178 174.64156975 -171.69920985 31.15883968 P 24.16424320 22.10872518 22.28903599 -192.03859638 291.31043452 130.54913928 P 20.97336680 24.14702153 21.15389742 -225.51407425 -648.75390834 -524.56444232 P 22.20017397 25.39246973 20.73079532 160.63635482 119.79386997 -86.18838059 P 22.76335809 23.94599416 22.41129008 -388.48528970 -477.03581568 -79.26519752 P 21.22214215 25.22376274 22.35192154 73.04633241 514.54999503 632.68999081 P 23.84697947 24.05084788 20.87242915 65.26071345 9.31573360 -50.78070251 P 25.51481914 25.71038454 20.89515696 -12.63288862 1.92583400 -0.59225614 P 25.71664000 24.09983178 22.13079848 -17.84586323 -0.96812293 26.94232815 P 23.70663988 25.32114569 22.57577290 289.20229388 539.47026210 -101.28605743 P 20.91509388 21.28537833 23.98793232 -177.99444698 -143.30327006 76.63927831 P 22.42817252 22.21447339 23.92290772 181.85106964 128.03614199 -12.73665449 P 22.45889566 20.88014533 25.60726890 3.01714059 15.44602753 -12.49953362 P 20.77119868 22.76634480 25.71382172 2.60603027 -39.67948604 44.38597290 P 24.22075330 21.24369724 24.08891957 -15.24250503 -43.31705406 -4.37032411 P 25.73070111 22.59931970 23.95813562 -7.27282122 8.18871462 -15.69142747 P 25.62880241 20.74969666 25.49572068 1.96017817 8.52562715 0.08226102 P 23.83971038 22.75926154 25.28215299 -19.43520178 -108.50258508 21.85789583 P 20.80511000 23.61329045 24.00350106 19.76091610 37.03589694 -57.20823161 P 22.24663989 25.31273780 24.14745840 313.22916153 -122.48455015 -627.72604154 P 22.41359458 23.97849662 25.50221825 -54.73001947 -15.12267421 48.41812294 P 21.37462388 25.77626836 25.45248493 -394.92219852 206.68449466 581.71770693 P 23.72488819 24.19084451 23.96413239 133.30615657 -151.19656890 197.07260078 P 25.41124171 25.30267768 23.87054049 6.57088334 -0.93967258 3.80765632 P 25.34556830 23.79601183 25.61619954 68.10394462 64.63512401 10.56078448 P 23.49416773 25.69236137 25.76471598 16.61952178 -0.17941108 -4.45000819