32 Lattice="6.219774740173021 0.0 0.0 0.0 6.219774740173021 0.0 0.0 0.0 6.219774740173021" Properties=species:S:1:pos:R:3:forces:R:3 energy=11943.202868614926 stress="-200.90270141477305 -8.151581390361233 -0.9229551313972658 -8.151581390361233 -201.53375863056615 -1.1495209197140541 -0.9229551313972658 -1.1495209197140541 -202.05403095396372" free_energy=11943.202868614926 pbc="F F F" Xe 0.03328474 0.05804140 0.03949901 -860.51964731 -846.87915259 -893.94729299 Xe 1.58355856 1.60680938 0.03084426 -548.95800442 -524.73836090 -1902.75202852 Xe 1.60316369 0.02075442 1.53566817 -482.26738597 -1686.14508066 136.39964385 Xe 0.03724042 1.60292600 1.55936941 -2020.18276047 -501.11933111 -292.32273110 Xe 3.18567142 0.05318354 0.05969290 -290.60992817 -1558.73820780 -1707.49564259 Xe 4.71460903 1.53876586 0.03246733 1299.14498443 363.78234111 -1212.07600909 Xe 4.65381052 0.05835568 1.60230825 1683.97677758 -1404.32108132 -18.55771121 Xe 3.09884953 1.55347302 1.52550804 334.14589513 592.06904651 869.41786104 Xe 0.02257308 3.16945691 0.01885248 -1368.52690925 -686.36334776 -1694.65713083 Xe 1.50373825 4.68452773 0.05411619 462.92239909 1290.96262490 -1622.06147625 Xe 1.52733926 3.09565966 1.59442432 685.48690480 500.95847417 -241.00357247 Xe 0.00143601 4.60512864 1.50472833 -1576.50715293 1640.01572686 889.92678094 Xe 3.05982756 3.05397480 0.03835059 592.17690025 829.31286366 -1792.96534006 Xe 4.64601950 4.71589732 0.05974096 713.98583702 783.86727130 -986.24606564 Xe 4.65721151 3.16032461 1.52833901 1259.33749868 -330.98911398 419.46929048 Xe 3.05019132 4.68889020 1.51064223 387.53469313 1315.17548747 477.57594821 Xe 0.00402508 0.04607961 3.15402325 -1260.50960580 -1211.80211671 -301.59995755 Xe 1.50844833 1.58350732 3.07860023 818.27318016 -676.86959273 395.38442189 Xe 1.54499872 0.03151770 4.65387516 214.87896812 -1190.45249770 1142.12761527 Xe 0.02853037 1.59820197 4.69866689 -1470.98834997 -278.79733293 1278.74663666 Xe 3.11712009 0.01614429 3.05600087 -358.68507817 -1647.15744993 534.22630708 Xe 4.62512541 1.53770796 3.16565663 1749.54620255 425.57347798 -619.98217179 Xe 4.61047638 0.04096204 4.70166754 859.13738568 -1066.94254366 902.24594163 Xe 3.10650706 1.55663322 4.63265707 -524.03347870 34.36686774 1783.54670978 Xe 0.04757884 3.07644631 3.09689997 -2200.58955196 782.21444753 312.28887331 Xe 1.57543119 4.71662144 3.09772842 -412.36928647 1471.20558880 14.60780390 Xe 1.50102670 3.09359847 4.64949133 341.75840725 234.69571506 1772.42725161 Xe 0.00744752 4.67206635 4.69353175 -737.81182712 714.39486088 584.97742459 Xe 3.05529067 3.12551006 3.17045556 317.90012604 56.55717574 -804.95346772 Xe 4.69482356 4.61169963 3.17186192 812.05415880 1431.29269931 -347.45935281 Xe 4.64054267 3.10456123 4.61921690 1231.96389530 -30.86215121 1713.59385738 Xe 3.01134968 4.64799404 4.71304419 348.33475271 1175.73269197 1211.11758301