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=1521.3340266891923 stress="-0.07449726518266094 0.02157557052030519 0.002625342997504958 0.02157557052030519 -0.12045232106686285 -0.045347964690112055 0.002625342997504958 -0.045347964690112055 -0.09496924828730868" free_energy=1521.3340266891923 pbc="F F F" U 21.07995973 20.92998661 20.81327768 -34.02570979 -54.85471198 -13.38640701 U 22.00976320 22.68220204 20.89403866 50.63927529 -20.90824792 -42.53488104 U 22.73573857 21.28275419 22.27538150 -208.12843774 32.90208066 285.01016065 U 20.76779028 22.19507361 22.73904674 -47.69613955 -10.47231201 -69.91007692 U 23.78984966 20.95698654 20.92299150 218.49931174 -73.11938742 -282.51548486 U 25.56284579 22.58502656 20.94861352 10.95053813 -2.97056719 -8.46188181 U 25.58733727 21.34839168 22.90553417 22.83825579 -16.76347485 -22.35389745 U 23.77217243 23.00076491 22.72343888 536.36640825 -1017.17866869 -388.68213780 U 21.04396501 24.26255467 21.40257051 -15.43234829 -1256.96374067 -756.41101839 U 22.84735909 25.26922180 20.91479952 -331.69794193 582.12798322 -24.39110125 U 22.62062187 24.18745344 22.52015752 -865.26217812 276.66115738 -733.60392863 U 20.93413357 25.63143398 22.15882829 -121.77687262 1334.59970781 726.56156104 U 23.75213077 23.86697239 20.77615882 351.54559491 -527.39705351 -86.40906883 U 25.37003578 25.34931187 21.12968218 19.12193769 20.12252414 -34.89030898 U 25.64846848 24.29977655 22.87426962 124.33566932 -275.60237343 -275.38646390 U 23.95416817 25.57327937 22.69989723 -73.97958255 259.72976128 -399.42647500 U 21.17275166 20.87425859 24.15720406 -51.86189615 -522.01781713 -314.32760415 U 22.26564846 22.38507600 24.29768454 1144.07707089 128.33948811 -712.11960717 U 22.43105874 21.12046021 25.63756854 120.38328391 -204.41017804 200.41254889 U 20.97011124 22.20220318 25.21755886 -1120.39400099 301.26067591 951.71263419 U 24.12685323 20.80212486 24.26235339 -57.01720764 -78.30890752 -75.92004867 U 25.45176950 22.95764521 24.21211731 -224.13355658 -1358.55818670 -1386.25222182 U 25.44968690 21.29594673 25.58228656 228.95076404 -117.45309433 74.77593085 U 23.99042854 22.35687199 25.47664413 -149.45343494 175.82457765 51.65892090 U 21.24122900 23.76864816 23.81634348 -204.11862139 224.62829968 1.44333832 U 22.41236730 25.48566276 23.81443107 -325.62962533 377.43366899 171.71486385 U 22.49234056 23.90894625 25.66136992 -4.15166093 13.83314733 35.09501492 U 20.75353570 25.30023753 25.70315195 -7.65261401 6.76082813 3.05865369 U 23.63231861 24.23110688 23.82745478 578.40705481 103.19123141 1229.96033565 U 25.30031125 25.70071341 23.82858036 178.15058643 370.01088738 409.13112644 U 25.64720807 23.98419090 25.33700228 368.74378111 1219.97686770 1435.54079041 U 24.27559981 25.21321713 25.54201032 -110.59770374 109.57583459 50.90673389