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=-217.2189877524451 stress="0.0056907840340920295 -0.00016914173718797395 -7.553208906214756e-05 -0.00016914173718797395 0.005532654412125382 -0.0002901511276947864 -7.553208906214756e-05 -0.0002901511276947864 0.005173211959046967" free_energy=-217.2189877524451 pbc="F F F" N 20.84232701 20.88362058 20.70588176 2.18835067 2.67376710 2.65751149 N 22.59870465 22.69226931 21.13547981 3.91284076 8.20327503 4.69815463 N 22.44025482 20.93456890 22.77040464 3.78249677 8.60587876 6.24022465 N 20.76650472 22.51871767 22.56738317 11.56048155 5.08842871 6.77498036 N 23.79286828 21.22322848 20.70613200 -2.06090411 8.21750905 8.16934808 N 25.76525236 22.63879378 20.97020024 -7.73327846 5.06906429 10.55804372 N 25.23796914 20.83807013 22.30657678 -12.05779634 10.55034052 10.65274918 N 24.11531057 22.63521176 22.67591052 6.33701937 4.44254070 8.17781619 N 21.17554354 23.81107024 20.80233182 12.52571689 -4.50562721 9.26281682 N 22.57589944 25.45300395 21.17330698 -0.86190262 -12.50864620 13.47567875 N 22.39088763 24.27838045 22.64238726 8.27666977 0.68674751 8.20916956 N 21.01293990 25.75549707 22.40464565 10.57809982 -8.45802626 -1.55285013 N 23.94767245 23.96265748 20.92542188 -6.75204941 -5.12042152 11.19269743 N 25.79638582 25.57050230 20.97671056 -3.46236221 -3.97344233 3.62140030 N 25.54470885 23.83369616 22.41584440 -13.16285274 -8.25213380 -4.15707779 N 24.08473037 25.73759071 22.68557497 -5.45569329 -14.17746720 6.26498800 N 20.83972733 20.83089127 24.09871241 7.27178407 6.57752493 -2.91927301 N 22.26257508 22.74213323 23.93768607 -9.00448883 12.60619727 -2.75262891 N 22.49385577 21.25843289 25.74182953 -2.83706920 7.48194338 -6.01820228 N 21.11677323 22.74029900 25.53642967 9.98711896 2.35413322 -13.49638221 N 24.11455678 20.87483836 23.71330683 10.84068132 17.98748962 -10.59496184 N 25.32522366 22.08210275 23.94612723 -21.63293471 -9.41123641 -0.75016003 N 25.59816436 20.95226856 25.36867508 -6.04409286 9.21759438 -11.30723724 N 24.23199491 22.79163732 25.38346398 8.48824684 12.43894114 -11.29925271 N 20.93444131 23.86693738 23.96425471 19.02352375 -13.28994096 -1.31765220 N 22.71535531 25.55308827 24.27952421 16.52505542 -22.93299979 3.76048049 N 22.77733773 24.29265466 25.61133840 7.12032319 8.25214487 -18.39866649 N 20.92067585 25.21759021 25.71027040 7.28709147 -5.92606395 -5.28649915 N 23.70857528 24.14532204 23.70366455 -12.87756874 6.20726177 -4.04357159 N 25.65904656 25.38310759 24.18630321 -18.11782483 -11.90962790 10.29188016 N 25.27268544 24.09502924 25.36329907 -22.46599731 7.04904962 -13.34908009 N 24.19697729 25.35412885 25.22216517 -1.17868498 -23.24419832 -16.76444414