108 Lattice="27.016870972601353 0.0 0.0 0.0 27.016870972601353 0.0 0.0 0.0 27.016870972601353" Properties=species:S:1:pos:R:3:forces:R:3 energy=-39.02844805043255 stress="-3.2847733498982174e-05 -2.0284722408182654e-06 1.027633209357578e-07 -2.0284722408182654e-06 -3.307587003533066e-05 2.8166333515188494e-06 1.027633209357578e-07 2.8166333515188494e-06 -3.306242831483955e-05" free_energy=-39.02844805043255 pbc="F F F" Cs 0.07861926 0.07207744 0.02679355 -0.02695634 -0.02975462 -0.02546447 Cs 4.48577929 4.43805394 0.00184308 0.04654899 0.04757844 -0.04889136 Cs 4.58433373 0.00360593 4.44131567 0.03342330 -0.04598907 0.04332069 Cs 0.00780959 4.44102262 4.47143818 -0.04482201 0.04591964 0.04410142 Cs 9.09643909 0.04341879 0.03158835 0.00640295 -0.03039834 -0.03401414 Cs 13.55835795 4.54458519 0.08712328 -0.00880344 0.03661940 -0.04984668 Cs 13.55005554 0.06527201 4.50500270 -0.01540880 -0.04964129 0.04503089 Cs 9.08020760 4.52259010 4.43616654 -0.00214906 0.06086635 0.07351339 Cs 18.07832146 0.07040033 0.07182386 -0.03510294 -0.04109722 -0.04301800 Cs 22.55858381 4.46806657 0.00085219 0.03042268 0.04049870 -0.02979670 Cs 22.49390230 0.01836779 4.53079135 0.04144439 -0.03720151 0.02845921 Cs 17.94274247 4.46524992 4.52227408 -0.03307137 0.07230719 0.05203520 Cs 0.08605803 9.01910798 0.03283491 -0.02864222 0.00503462 -0.02756802 Cs 4.47370869 13.57223392 0.07056837 0.05688962 -0.01778239 -0.04193405 Cs 4.56343631 8.94015947 4.50298753 0.05597622 0.01343731 0.06186047 Cs 0.08836934 13.51881566 4.51605001 -0.04083698 -0.01265550 0.04226696 Cs 9.02237144 8.92244505 0.03942576 0.00317775 0.02472608 -0.03080321 Cs 13.50274352 13.54426674 0.05754610 -0.02015798 -0.01299194 -0.02618742 Cs 13.52659963 9.03504428 4.45382064 -0.02142099 0.01969401 0.07909589 Cs 8.96756602 13.53986628 4.47836354 0.02279004 -0.02120512 0.06004683 Cs 17.94061834 9.01705136 0.08663941 -0.02350649 0.00509590 -0.03809932 Cs 22.55333078 13.45897141 0.07375727 0.02812059 -0.00375833 -0.02766797 Cs 22.58210513 8.98603318 4.57645138 0.02471955 0.00563651 0.03907454 Cs 18.01859783 13.55112103 4.42208955 -0.05680538 -0.01470395 0.07590430 Cs 0.07867937 18.04521781 0.02633429 -0.04144005 -0.02608129 -0.03765184 Cs 4.57906557 22.52193843 0.03820859 0.02443848 0.03644887 -0.03935421 Cs 4.48356905 18.01504858 4.49813698 0.05476193 -0.04878607 0.05121172 Cs 0.06439250 22.51002636 4.55455122 -0.03665866 0.03589744 0.02949517 Cs 9.07668423 18.04271332 0.05209794 0.00093406 -0.05015217 -0.04036568 Cs 13.54678876 22.43703780 0.01199713 -0.01237330 0.03411048 -0.03449556 Cs 13.47921636 18.09149522 4.57925550 -0.00866108 -0.07314920 0.06051774 Cs 8.94639502 22.44947965 4.49246651 0.02292378 0.04331324 0.04897615 Cs 17.95978174 17.92311789 0.04487227 -0.02328729 -0.02901729 -0.04780875 Cs 22.47720519 22.59474168 0.03055101 0.01540382 0.01103414 -0.01746135 Cs 22.52521061 18.05681597 4.57870127 0.03971536 -0.03095470 0.02716090 Cs 17.92535077 22.54118278 4.41284969 -0.02260407 0.04123136 0.06110613 Cs 0.06949161 0.03058323 8.99776735 -0.02840611 -0.02815479 0.01021165 Cs 4.47899775 4.47228048 9.03396823 0.05934697 0.07286486 0.00220545 Cs 4.53857023 0.03869190 13.52508414 0.03347360 -0.04680497 -0.01564586 Cs 0.06204680 4.59048343 13.59196386 -0.03950185 0.03630603 -0.02461459 Cs 8.91784580 0.08068555 8.92254332 0.02469238 -0.03034917 0.01586700 Cs 13.48271567 4.50079830 8.93234295 -0.01246338 0.06972662 0.02923697 Cs 13.50468630 0.07222133 13.56685649 -0.01239727 -0.02907331 -0.02785455 Cs 8.94783521 4.45785606 13.44305146 0.02690845 0.07688063 -0.01226893 Cs 18.02483648 0.06888605 8.95393048 -0.05212899 -0.04146920 0.02380023 Cs 22.44024363 4.46781990 8.99845885 0.03416701 0.05453992 0.01271888 Cs 22.50893322 0.02022014 13.46968702 0.02419026 -0.02946051 -0.00201424 Cs 17.99479272 4.52024356 13.57245417 -0.05539827 0.06007821 -0.03057249 Cs 0.02299009 9.00003543 8.91782326 -0.01482288 0.01074590 0.02058485 Cs 4.56645173 13.58453490 8.95953037 0.04758386 -0.03386807 0.02063197 Cs 4.59181717 9.03473725 13.57314118 0.04925132 0.01450986 -0.03365389 Cs 0.04108360 13.50919007 13.49617103 -0.01789105 -0.01304363 -0.01647452 Cs 9.00757857 9.06871668 9.02165030 0.01313820 -0.00239718 0.00405936 Cs 13.49979446 13.47490823 9.01577212 -0.00796979 -0.00855766 0.00627314 Cs 13.51125627 8.95731107 13.51089564 -0.01627920 0.01722024 -0.01556606 Cs 9.01065644 13.50251635 13.38727365 0.01317733 -0.00730216 0.01357974 Cs 17.95724196 9.08172973 8.95481365 -0.05624756 0.00413698 0.01519957 Cs 22.50918122 13.59791567 9.00293177 0.02363155 -0.02044655 0.00754672 Cs 22.46260778 9.03829332 13.46988485 0.02430750 -0.00218550 -0.00923079 Cs 18.08021568 13.46763421 13.56196013 -0.08227961 -0.01057603 -0.01893729 Cs 0.04074521 17.94600099 9.01320221 -0.03543393 -0.03512800 0.00957050 Cs 4.59271658 22.49201207 8.97639293 0.03172892 0.03655719 0.01099954 Cs 4.56504759 18.05820925 13.49942870 0.05324754 -0.06845352 -0.00246169 Cs 0.03648633 22.48754417 13.44307442 -0.02730611 0.02456473 -0.00274766 Cs 8.92555907 17.93389420 8.95906548 0.03125635 -0.05055691 0.01741260 Cs 13.52190514 22.43246906 9.08475450 -0.01400698 0.02492544 -0.00280182 Cs 13.50107518 17.93660881 13.50572718 -0.01862535 -0.05978497 -0.00797199 Cs 9.01981595 22.54520823 13.40820618 0.01699552 0.01750125 -0.00006761 Cs 18.00690541 17.94029264 9.02945650 -0.05910263 -0.04995129 0.00437533 Cs 22.58237830 22.46794869 9.15699274 0.01650859 0.02855010 -0.00577063 Cs 22.47961288 17.99605568 13.54844963 0.03514474 -0.04045110 -0.00466972 Cs 17.93499119 22.44007412 13.48261608 -0.03854666 0.03608066 -0.00413939 Cs 0.04547773 0.02087260 18.02427382 -0.03822333 -0.04004228 -0.03081498 Cs 4.50601513 4.42365934 17.93933605 0.05585320 0.06733958 -0.03979780 Cs 4.46613497 0.00764136 22.60330056 0.03187305 -0.03465241 0.03289508 Cs 0.06657137 4.56664027 22.42600802 -0.04023345 0.02840730 0.03740136 Cs 8.93470358 0.08915323 17.98373370 0.01823524 -0.04190155 -0.02941723 Cs 13.50510281 4.47939277 17.95647204 -0.02668995 0.07098701 -0.03939955 Cs 13.56343765 0.05135483 22.49033536 -0.01623650 -0.02274014 0.02879034 Cs 8.91914614 4.54128076 22.51081538 0.02577624 0.03958915 0.02865574 Cs 17.96660462 0.03639440 18.04238976 -0.02850369 -0.05261049 -0.04042449 Cs 22.43586602 4.44737060 18.01947413 0.05367858 0.04594309 -0.04385366 Cs 22.47641204 0.07279899 22.60068591 0.01958154 -0.02223258 0.01864308 Cs 18.07141017 4.56423064 22.51776164 -0.04921766 0.03684686 0.05052057 Cs 0.02457412 9.01667396 17.95014480 -0.03694821 0.00950416 -0.03591276 Cs 4.43951389 13.46118797 18.06181493 0.07847299 -0.00151542 -0.07479360 Cs 4.54117435 8.94168303 22.48826745 0.03870262 0.01535053 0.03489959 Cs 0.08617568 13.50797826 22.44100025 -0.03780295 -0.01651169 0.04012181 Cs 8.93731067 9.04797060 17.95024493 0.03226641 0.00437809 -0.05587289 Cs 13.53763825 13.48976506 17.99530514 -0.02149744 -0.01567560 -0.06941070 Cs 13.54187311 9.04785099 22.55807920 -0.02149981 0.00025125 0.01842640 Cs 9.00615085 13.50704931 22.45321994 0.00629048 -0.00921033 0.02451005 Cs 17.94419475 8.94235041 18.07702921 -0.04800211 0.01868556 -0.06436920 Cs 22.43328543 13.49682831 17.93027712 0.03874030 -0.00854558 -0.02673831 Cs 22.59196627 8.99798207 22.50711161 0.02712902 0.01112362 0.02172637 Cs 18.03919794 13.51330762 22.45595955 -0.03495753 -0.00907859 0.03797171 Cs 0.04597818 17.93504130 18.02316454 -0.04827810 -0.01638468 -0.04692564 Cs 4.57527793 22.56566728 17.92623051 0.03081958 0.04102949 -0.02981019 Cs 4.42044197 18.00378386 22.44973913 0.05623850 -0.02968662 0.04745263 Cs 0.08884968 22.57298657 22.59850105 -0.01589718 0.01665971 0.00968339 Cs 9.01607108 18.03279266 18.04133853 0.01055738 -0.05949918 -0.06373593 Cs 13.47892395 22.56840711 18.05349812 -0.01221193 0.03031858 -0.04605778 Cs 13.53064439 17.94802602 22.50600016 -0.01745737 -0.03439877 0.03640334 Cs 8.97736628 22.59966259 22.59288572 0.00590549 0.01572589 0.02351800 Cs 17.95178726 18.05920966 18.05824935 -0.04839923 -0.05528911 -0.05741110 Cs 22.42831552 22.50507408 18.01258166 0.03343796 0.03810953 -0.03089846 Cs 22.56624015 18.05826325 22.52261527 0.03199429 -0.03551088 0.02936960 Cs 17.97725774 22.49847319 22.58772268 -0.02882396 0.03393274 0.03509656