32 Lattice="6.221810780255181 0.0 0.0 0.0 6.221810780255181 0.0 0.0 0.0 6.221810780255181" Properties=species:S:1:pos:R:3:forces:R:3 energy=12122.30519021299 stress="-205.74603197111009 2.9332878967676206 -1.3412583307350976 2.9332878967676206 -203.84914831693607 1.0305142832950647 -1.3412583307350976 1.0305142832950647 -203.28444401413037" free_energy=12122.30519021299 pbc="F F F" Xe 0.05981140 0.03985110 0.05422787 -1080.23179576 -1267.18423299 -970.90230308 Xe 1.52720234 1.53636770 0.04117033 555.50308166 213.93215053 -1818.28629554 Xe 1.61734548 0.01881119 1.59870249 -324.15674212 -2171.33341442 9.00365818 Xe 0.01752357 1.50509361 1.60110295 -1730.30840417 868.63791773 -282.13854072 Xe 3.06745720 0.00152120 0.01294338 224.24382303 -1311.30727117 -1286.58075113 Xe 4.63150182 1.52045817 0.02832219 1086.24765204 173.38693514 -1185.57118920 Xe 4.62030945 0.05851241 1.62890393 1193.79377777 -1312.00847070 -106.13659614 Xe 3.04161941 1.53740195 1.54882601 1093.20290547 363.15185485 174.21063159 Xe 0.04270567 3.01521081 0.00750343 -1352.60304353 553.98423098 -904.60331024 Xe 1.57733215 4.61353583 0.04360045 -654.86333992 1373.21467759 -1466.99385243 Xe 1.61278112 3.08070476 1.59075287 -996.96336667 245.15420343 -261.90401650 Xe 0.05790891 4.68931129 1.63561848 -1363.71062706 931.14944297 -583.43705536 Xe 3.10408647 3.16453043 0.01947260 42.62881725 -859.74541468 -1643.64472159 Xe 4.60504698 4.63360339 0.06010344 1125.96558905 1266.86343439 -1013.14291158 Xe 4.67259187 3.12159279 1.54848009 1362.42192686 -187.31211704 205.38254636 Xe 3.03649844 4.69003472 1.56042911 494.78107059 1788.93977983 293.78437563 Xe 0.00804356 0.05874489 3.06368470 -1336.19863698 -1868.97929467 378.79453801 Xe 1.55396859 1.55518369 3.08859134 284.11796065 244.23664888 756.00908818 Xe 1.49465150 0.04808616 4.68103949 367.42336151 -1530.78518004 1159.83609911 Xe 0.01417529 1.50203024 4.65298758 -1420.33129679 650.94618148 1266.47417766 Xe 3.11311060 0.02300663 3.18726145 -253.21535098 -1570.18945196 -368.28659341 Xe 4.68706112 1.61650502 3.14145119 1258.34505742 -88.55446213 -319.95913662 Xe 4.61332445 0.05658249 4.64980210 1572.11767631 -1300.00097912 1096.12348669 Xe 3.14212752 1.50094801 4.72738028 -670.45027659 958.36507058 1399.82640986 Xe 0.01511032 3.12875613 3.16228710 -1750.52657209 -543.48807190 -501.67605423 Xe 1.52852748 4.66037116 3.12487989 472.23845944 1882.74895620 -217.63061612 Xe 1.58067493 3.15860107 4.61608108 135.34756069 -841.18346445 1917.53019094 Xe 0.04611136 4.65391497 4.61922473 -1193.02223008 1185.21232487 1312.14310743 Xe 3.09915047 3.15230585 3.07094476 391.26379465 -572.45967240 538.03470974 Xe 4.60434159 4.67837888 3.14110181 1353.97114755 1200.14873576 -205.53604215 Xe 4.68255585 3.08784705 4.67145867 882.71733175 328.27081485 1231.31674877 Xe 3.07200237 4.69057370 4.63533665 230.25068903 1196.18813762 1397.96021790